*HEADER    ANTIMICROBIAL PROTEIN                   11-MAR-19   6O8T              
*TITLE     SYN-SAFENCIN 96                                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CIRCULAR BACTERIOCIN, CIRCULARIN A/UBEROLYSIN FAMILY;      
*COMPND   3 CHAIN: X;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: BACILLUS SAFENSIS;                              
*SOURCE   4 ORGANISM_TAXID: 561879                                               
*KEYWDS    ANTIMICROBIAL, SYNTHETIC PEPTIDE, ANTIMICROBIAL PROTEIN               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.R.FIELDS,S.W.LEE                                                    
*REVDAT   1   15-APR-20 6O8T    0                                                
# Restraints file 1: noes.tab
VARS INDEX GROUP RESID_I RESNAME_I ATOMNAME_I SEGNAME_I RESID_J RESNAME_J ATOMNAME_J SEGNAME_J D_LO D_HI FC W S
FORMAT %4d %3d  %5d %6s %6s %4s  %5d %6s %6s %4s  %9.3f %9.3f %.2f %.2f %.2f

   1  1    4 LYS  HN      A    2 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
   2  1    4 LYS  HN      A    2 TRP   HB1    A    0.000   5.000 100.0 1.0 1.0
   2  2    4 LYS  HN      A    2 TRP   HB2    A    0.000   5.000 100.0 1.0 1.0
   3  1    4 LYS  HN      A    1 ALA   HB1    A    0.000   3.300 100.0 1.0 1.0
   3  1    4 LYS  HN      A    1 ALA   HB2    A    0.000   3.300 100.0 1.0 1.0
   3  1    4 LYS  HN      A    1 ALA   HB3    A    0.000   3.300 100.0 1.0 1.0
   4  1   20 LYS  HN      A   18 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
   5  1   20 LYS  HN      A   17 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
   5  1   20 LYS  HN      A   17 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
   6  1    9 LYS  HN      A    5 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
   6  1    9 LYS  HN      A    5 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
   7  1    9 LYS  HN      A    8 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
   7  1    9 LYS  HN      A    8 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
   8  1   10 LEU  HN      A    8 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
   8  1   10 LEU  HN      A    8 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
   9  1   11 LYS  HN      A    8 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  10  1   11 LYS  HN      A    7 ARG   HB1    A    0.000   5.000 100.0 1.0 1.0
  10  1   11 LYS  HN      A    7 ARG   HB2    A    0.000   5.000 100.0 1.0 1.0      
  11  1   11 LYS  HN      A    8 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  11  1   11 LYS  HN      A    8 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  12  1   11 LYS  HN      A   10 LEU   HB1    A    0.000   5.000 100.0 1.0 1.0
  12  1   11 LYS  HN      A   10 LEU   HB2    A    0.000   5.000 100.0 1.0 1.0
  13  1    6 ILE  HN      A    4 GLU   HA     A    0.000   5.000 100.0 1.0 1.0
  14  1    6 ILE  HN      A    5 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  15  1    6 ILE  HN      A    4 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  15  1    6 ILE  HN      A    4 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  16  1    6 ILE  HN      A    5 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  16  1    6 ILE  HN      A    5 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  17  1    6 ILE  HN      A    3 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  17  1    6 ILE  HN      A    3 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  18  1    4 GLU  HN      A    3 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  18  2    4 GLU  HN      A    3 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  19  1    4 GLU  HN      A    1 ALA   HB1    A    0.000   5.000 100.0 1.0 1.0
  19  1    4 GLU  HN      A    1 ALA   HB2    A    0.000   5.000 100.0 1.0 1.0
  19  1    4 GLU  HN      A    1 ALA   HB3    A    0.000   5.000 100.0 1.0 1.0
  20  1   13 GLU  HN      A   10 LEU   HA     A    0.000   5.000 100.0 1.0 1.0
  21  1   13 GLU  HN      A   12 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0 
  21  1   13 GLU  HN      A   12 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0 
  22  1   13 GLU  HN      A   11 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  22  1   13 GLU  HN      A   11 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  23  1   13 GLU  HN      A   12 ASN   HA     A    0.000   5.000 100.0 1.0 1.0
  24  1    7 ARG  HN      A    5 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  24  1    7 ARG  HN      A    5 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  25  1    7 ARG  HN      A    4 GLU   HB1    A    0.000   5.000 100.0 1.0 1.0
  25  1    7 ARG  HN      A    4 GLU   HB2    A    0.000   5.000 100.0 1.0 1.0
  26  1    7 ARG  HN      A    6 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  27  1    7 ARG  HN      A    6 ILE   HB1    A    0.000   3.300 100.0 1.0 1.0
  28  1    7 ARG  HN      A    5 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  28  1    7 ARG  HN      A    5 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  29  1    7 ARG  HN      A    4 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  29  1    7 ARG  HN      A    4 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  30  1    8 LYS  HN      A    5 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  31  1    8 LYS  HN      A    6 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  32  1    8 LYS  HN      A    7 ARG   HB1    A    0.000   5.000 100.0 1.0 1.0
  32  1    8 LYS  HN      A    7 ARG   HB2    A    0.000   5.000 100.0 1.0 1.0
  33  1    8 LYS  HN      A    5 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  33  1    8 LYS  HN      A    5 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  34  1   12 ASN  HN      A    9 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  35  1   12 ASN  HN      A    8 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  36  1   12 ASN  HN      A    9 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  36  1   12 ASN  HN      A    9 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  37  1   12 ASN  HN      A    8 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  37  1   12 ASN  HN      A    8 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  38  1   12 ASN  HN      A   10 LEU   HB1    A    0.000   5.000 100.0 1.0 1.0
  38  1   12 ASN  HN      A   10 LEU   HB2    A    0.000   5.000 100.0 1.0 1.0
  39  1   16 LYS  HN      A   15 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  40  1   16 LYS  HN      A   15 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  40  1   16 LYS  HN      A   15 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  41  1   21 ALA  HN      A   18 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
  42  1   15 LYS  HN      A   12 ASN   HA     A    0.000   5.000 100.0 1.0 1.0
  43  1   21 ALA  HN      A   19 ARG   HA     A    0.000   5.000 100.0 1.0 1.0
  44  1   15 LYS  HN      A   14 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  45  1   15 LYS  HN      A   11 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  46  1   15 LYS  HN      A   11 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  46  2   15 LYS  HN      A   11 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  47  1   14 ILE  HN      A   12 ASN   HA     A    0.000   5.000 100.0 1.0 1.0
  48  1   14 ILE  HN      A   10 LEU   HA     A    0.000   2.700 100.0 1.0 1.0
  49  1   14 ILE  HN      A   11 LYS   HA     A    0.000   3.300 100.0 1.0 1.0
  50  1   19 ARG  HN      A   18 TRP   HB1    A    0.000   5.000 100.0 1.0 1.0
  50  1   19 ARG  HN      A   18 TRP   HB2    A    0.000   5.000 100.0 1.0 1.0
  51  1   14 ILE  HN      A   12 ASN   HB1    A    0.000   5.000 100.0 1.0 1.0
  51  2   14 ILE  HN      A   12 ASN   HB2    A    0.000   5.000 100.0 1.0 1.0
  52  1   14 ILE  HN      A   11 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  52  1   14 ILE  HN      A   11 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  53  1   14 ILE  HN      A   10 LEU   HB1    A    0.000   5.000 100.0 1.0 1.0
  53  1   14 ILE  HN      A   10 LEU   HB2    A    0.000   5.000 100.0 1.0 1.0
  54  1   24 ALA  HN      A   21 ALA   HA     A    0.000   5.000 100.0 1.0 1.0
  54  1   22 VAL  HN      A   21 ALA   HA     A    0.000   5.000 100.0 1.0 1.0
  55  1   24 ALA  HN      A   23 ILE   HA     A    0.000   3.300 100.0 1.0 1.0
  56  1   22 VAL  HN      A   18 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
  57  1   22 VAL  HN      A   19 ARG   HB1    A    0.000   2.700 100.0 1.0 1.0
  57  1   22 VAL  HN      A   19 ARG   HB2    A    0.000   2.700 100.0 1.0 1.0
  58  1   24 ALA  HN      A   20 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  58  1   24 ALA  HN      A   20 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  59  1   25 TRP  HN      A   24 ALA   HA     A    0.000   2.700 100.0 1.0 1.0
  60  1   25 TRP  HN      A   22 VAL   HA     A    0.000   3.300 100.0 1.0 1.0
  61  1   25 TRP  HN      A   23 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  62  1   25 TRP  HN      A   23 ILE   HB1    A    0.000   3.300 100.0 1.0 1.0
  63  1   25 TRP  HN      A   22 VAL   HB1    A    0.000   3.300 100.0 1.0 1.0
  63  1   25 TRP  HN      A   22 VAL   HB2    A    0.000   3.300 100.0 1.0 1.0
  64  1   25 TRP  HN      A   24 ALA   HB1    A    0.000   2.700 100.0 1.0 1.0
  64  1   25 TRP  HN      A   24 ALA   HB2    A    0.000   2.700 100.0 1.0 1.0
  64  1   25 TRP  HN      A   24 ALA   HB3    A    0.000   2.700 100.0 1.0 1.0
  65  1   18 TRP  HN      A   17 LYS   HA     A    0.000   5.000 100.0 1.0 1.0
  66  1   18 TRP  HN      A   15 LYS   HA     A    0.000   3.300 100.0 1.0 1.0
  67  1   18 TRP  HN      A   14 ILE   HA     A    0.000   5.000 100.0 1.0 1.0
  68  1   18 TRP  HN      A   14 ILE   HB1    A    0.000   3.300 100.0 1.0 1.0
  69  1   18 TRP  HN      A   15 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  69  1   18 TRP  HN      A   15 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  70  1    4 LYS  HN      A    2 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
  71  1    4 LYS  HN      A    3 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  72  1   11 LYS  HN      A   12 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  73  1   13 GLU  HN      A   12 ASN   HN     A    0.000   5.000 100.0 1.0 1.0
  74  1    7 ARG  HN      A    6 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
  75  1   11 LYS  HN      A   10 LEU   HN     A    0.000   5.000 100.0 1.0 1.0
  76  1   21 ALA  HN      A   18 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
  77  1   14 ILE  HN      A   18 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
  78  1   18 VAL  HN      A   18 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
  79  1   17 LYS  HN      A   20 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  80  1   17 LYS  HN      A   16 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  81  1   21 ALA  HN      A   25 TRP   HN     A    0.000   3.300 100.0 1.0 1.0
  82  1    2 TRP  HN      A    3 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
  83  1    3 LYS  HN      A    2 TRP   HB1    A    0.000   5.000 100.0 1.0 1.0
  83  1    3 LYS  HN      A    2 TRP   HB2    A    0.000   5.000 100.0 1.0 1.0
  84  1    3 LYS  HN      A    1 ALA   HB1    A    0.000   5.000 100.0 1.0 1.0
  84  1    3 LYS  HN      A    1 ALA   HB2    A    0.000   5.000 100.0 1.0 1.0
  84  1    3 LYS  HN      A    1 ALA   HB3    A    0.000   5.000 100.0 1.0 1.0
  85  1    5 LYS  HN      A    3 LYS   HB1    A    0.000   5.000 100.0 1.0 1.0
  85  1    5 LYS  HN      A    3 LYS   HB2    A    0.000   5.000 100.0 1.0 1.0
  86  1   17 LYS  HN      A   15 LYS   HA     A    0.000   2.700 100.0 1.0 1.0
  87  1   17 LYS  HN      A   16 ILE   HA     A    0.000   3.300 100.0 1.0 1.0
  88  1   17 LYS  HN      A   16 ILE   HB1    A    0.000   2.700 100.0 1.0 1.0
  89  1   17 LYS  HN      A   15 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
  89  1   17 LYS  HN      A   15 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
  90  1   23 ILE  HN      A   18 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
  91  1   23 ILE  HN      A   19 ARG   HA     A    0.000   5.000 100.0 1.0 1.0
  92  1   23 ILE  HN      A   21 ALA   HA     A    0.000   3.300 100.0 1.0 1.0
  93  1   23 ILE  HN      A   20 LYS   HA     A    0.000   3.300 100.0 1.0 1.0
  94  1   23 ILE  HN      A   18 TRP   HB1    A    0.000   5.000 100.0 1.0 1.0  
  94  1   23 ILE  HN      A   18 TRP   HB2    A    0.000   5.000 100.0 1.0 1.0      
  95  1   23 ILE  HN      A   20 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
  95  1   23 ILE  HN      A   20 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
  96  1   23 ILE  HN      A   21 ALA   HB1    A    0.000   2.700 100.0 1.0 1.0
  96  1   23 ILE  HN      A   21 ALA   HB2    A    0.000   2.700 100.0 1.0 1.0
  96  1   23 ILE  HN      A   21 ALA   HB3    A    0.000   2.700 100.0 1.0 1.0
  97  1   23 ILE  HN      A   19 ARG   HB1    A    0.000   5.000 100.0 1.0 1.0
  97  1   23 ILE  HN      A   19 ARG   HB2    A    0.000   5.000 100.0 1.0 1.0
  98  1   19 ARG  HN      A   18 TRP   HA     A    0.000   5.000 100.0 1.0 1.0
  99  1   19 ARG  HN      A   18 TRP   HB1    A    0.000   5.000 100.0 1.0 1.0
  99  1   19 ARG  HN      A   18 TRP   HB2    A    0.000   5.000 100.0 1.0 1.0
 100  1   19 ARG  HN      A   16 LYS   HB1    A    0.000   2.700 100.0 1.0 1.0
 100  1   19 ARG  HN      A   16 LYS   HB2    A    0.000   2.700 100.0 1.0 1.0
 101  1   19 ARG  HN      A   15 LYS   HB1    A    0.000   3.300 100.0 1.0 1.0
 101  1   19 ARG  HN      A   15 LYS   HB2    A    0.000   3.300 100.0 1.0 1.0
 102  1   14 ILE  HN      A   13 GLU   HN     A    0.000   5.000 100.0 1.0 1.0
 103  1   14 ILE  HN      A   11 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
 104  1    9 LYS  HN      A   14 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
 105  1   20 LYS  HN      A   16 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
 106  1    5 LYS  HN      A    8 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
 107  1    5 LYS  HN      A    4 GLU   HN     A    0.000   5.000 100.0 1.0 1.0
 108  1    9 LYS  HN      A   11 LYS   HN     A    0.000   5.000 100.0 1.0 1.0
 109  1   25 TRP  HN      A   22 VAL   HN     A    0.000   5.000 100.0 1.0 1.0
 110  1   25 TRP  HN      A   24 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
 111  1   25 TRP  HN      A   23 ILE   HN     A    0.000   5.000 100.0 1.0 1.0
 112  1   24 ALA  HN      A   21 ALA   HN     A    0.000   5.000 100.0 1.0 1.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1  63.888  17.046  -3.047
    2    H2   ALA   1           HT2      ALA   1  64.709  16.486  -4.425
    3    H3   ALA   1           HT3      ALA   1  65.473  16.461  -2.907
    4    HA   ALA   1           HA       ALA   1  64.414  14.650  -2.201
    5    HB1  ALA   1           HB1      ALA   1  62.154  15.288  -4.129
    6    HB2  ALA   1           HB2      ALA   1  62.196  15.771  -2.416
    7    HB3  ALA   1           HB3      ALA   1  62.155  14.046  -2.854
    8    H    TRP   2           HN       TRP   2  63.971  12.457  -3.113
    9    HA   TRP   2           HA       TRP   2  64.497  12.033  -5.957
   10    HB2  TRP   2           HB2      TRP   2  66.788  12.554  -5.166
   11    HB3  TRP   2           HB1      TRP   2  66.653  11.263  -3.947
   12    HD1  TRP   2           HD1      TRP   2  67.029  11.844  -7.697
   13    HE1  TRP   2           HE1      TRP   2  67.676   9.616  -8.873
   14    HE3  TRP   2           HE3      TRP   2  66.456   8.648  -3.739
   15    HZ2  TRP   2           HZ2      TRP   2  67.903   6.835  -8.160
   16    HZ3  TRP   2           HZ3      TRP   2  66.893   6.211  -4.011
   17    HH2  TRP   2           HH2      TRP   2  67.616   5.303  -6.215
   18    H    LYS   3           HN       LYS   3  64.167  10.877  -2.647
   19    HA   LYS   3           HA       LYS   3  63.791   8.086  -3.391
   20    HB2  LYS   3           HB2      LYS   3  64.489   9.132  -1.091
   21    HB3  LYS   3           HB1      LYS   3  62.748   9.372  -0.846
   22    HG2  LYS   3           HG2      LYS   3  63.039   7.248   0.113
   23    HG3  LYS   3           HG1      LYS   3  62.585   6.804  -1.545
   24    HD2  LYS   3           HD2      LYS   3  64.935   6.464  -2.147
   25    HD3  LYS   3           HD1      LYS   3  65.465   7.069  -0.560
   26    HE2  LYS   3           HE2      LYS   3  63.713   4.612  -0.999
   27    HE3  LYS   3           HE1      LYS   3  65.462   4.576  -0.665
   28    HZ1  LYS   3           HZ1      LYS   3  63.327   5.662   1.103
   29    HZ2  LYS   3           HZ2      LYS   3  64.992   5.813   1.407
   30    HZ3  LYS   3           HZ3      LYS   3  64.266   4.276   1.373
   31    H    GLU   4           HN       GLU   4  61.949  10.849  -3.845
   32    HA   GLU   4           HA       GLU   4  59.721  11.203  -4.374
   33    HB2  GLU   4           HB2      GLU   4  59.871   8.241  -5.059
   34    HB3  GLU   4           HB1      GLU   4  58.561   9.342  -5.546
   35    HG2  GLU   4           HG2      GLU   4  60.181  10.756  -6.760
   36    HG3  GLU   4           HG1      GLU   4  61.511   9.690  -6.246
   37    H    LYS   5           HN       LYS   5  60.574  10.033  -1.639
   38    HA   LYS   5           HA       LYS   5  59.518   9.361   0.315
   39    HB2  LYS   5           HB2      LYS   5  57.037  10.509  -1.019
   40    HB3  LYS   5           HB1      LYS   5  57.340  10.337   0.727
   41    HG2  LYS   5           HG2      LYS   5  59.222  11.923   0.579
   42    HG3  LYS   5           HG1      LYS   5  58.976  12.072  -1.179
   43    HD2  LYS   5           HD2      LYS   5  56.790  13.063  -0.865
   44    HD3  LYS   5           HD1      LYS   5  56.829  12.723   0.883
   45    HE2  LYS   5           HE2      LYS   5  58.866  14.497  -0.523
   46    HE3  LYS   5           HE1      LYS   5  57.390  15.123   0.248
   47    HZ1  LYS   5           HZ1      LYS   5  59.484  15.078   1.647
   48    HZ2  LYS   5           HZ2      LYS   5  59.314  13.389   1.694
   49    HZ3  LYS   5           HZ3      LYS   5  58.100  14.387   2.341
   50    H    ILE   6           HN       ILE   6  59.514   7.517  -2.091
   51    HA   ILE   6           HA       ILE   6  58.478   5.540  -2.767
   52    HB   ILE   6           HB       ILE   6  57.537   5.228   0.117
   53   HG12  ILE   6          HG12      ILE   6  60.375   4.956  -0.980
   54   HG13  ILE   6          HG11      ILE   6  59.817   6.127   0.240
   55   HG21  ILE   6          HG21      ILE   6  58.845   3.193  -1.734
   56   HG22  ILE   6          HG22      ILE   6  57.094   3.502  -1.768
   57   HG23  ILE   6          HG23      ILE   6  57.861   2.896  -0.282
   58   HD11  ILE   6           HD1      ILE   6  59.074   4.057   1.621
   59   HD12  ILE   6           HD2      ILE   6  60.820   4.380   1.507
   60   HD13  ILE   6           HD3      ILE   6  60.085   3.111   0.501
   61    H    ARG   7           HN       ARG   7  56.989   7.868  -3.134
   62    HA   ARG   7           HA       ARG   7  54.862   8.502  -3.766
   63    HB2  ARG   7           HB2      ARG   7  53.846   5.736  -2.999
   64    HB3  ARG   7           HB1      ARG   7  53.113   6.908  -4.110
   65    HG2  ARG   7           HG2      ARG   7  55.107   6.704  -5.614
   66    HG3  ARG   7           HG1      ARG   7  55.774   5.465  -4.524
   67    HD2  ARG   7           HD2      ARG   7  53.782   4.049  -4.900
   68    HD3  ARG   7           HD1      ARG   7  53.096   5.290  -5.976
   69    HE   ARG   7           HE       ARG   7  55.589   4.747  -7.079
   70   HH11  ARG   7          HH11      ARG   7  52.473   3.443  -6.897
   71   HH12  ARG   7          HH12      ARG   7  52.856   1.985  -7.751
   72   HH21  ARG   7          HH21      ARG   7  56.262   2.630  -7.856
   73   HH22  ARG   7          HH22      ARG   7  55.003   1.525  -8.293
   74    H    LYS   8           HN       LYS   8  55.630   9.367  -1.270
   75    HA   LYS   8           HA       LYS   8  54.575   9.992   0.784
   76    HB2  LYS   8           HB2      LYS   8  52.524   9.867  -1.238
   77    HB3  LYS   8           HB1      LYS   8  51.925   9.455   0.360
   78    HG2  LYS   8           HG2      LYS   8  51.724  11.897  -0.037
   79    HG3  LYS   8           HG1      LYS   8  52.896  11.588   1.260
   80    HD2  LYS   8           HD2      LYS   8  54.749  12.086  -0.138
   81    HD3  LYS   8           HD1      LYS   8  53.817  11.821  -1.629
   82    HE2  LYS   8           HE2      LYS   8  54.240  14.238  -1.209
   83    HE3  LYS   8           HE1      LYS   8  52.502  13.860  -1.182
   84    HZ1  LYS   8           HZ1      LYS   8  53.271  15.288   0.683
   85    HZ2  LYS   8           HZ2      LYS   8  54.214  13.993   1.250
   86    HZ3  LYS   8           HZ3      LYS   8  52.522  13.853   1.189
   87    H    LYS   9           HN       LYS   9  52.409   8.965   2.112
   88    HA   LYS   9           HA       LYS   9  52.993   6.099   2.375
   89    HB2  LYS   9           HB2      LYS   9  53.197   8.038   4.697
   90    HB3  LYS   9           HB1      LYS   9  53.264   6.264   4.827
   91    HG2  LYS   9           HG2      LYS   9  55.293   6.267   3.359
   92    HG3  LYS   9           HG1      LYS   9  55.250   8.046   3.350
   93    HD2  LYS   9           HD2      LYS   9  55.468   8.068   5.818
   94    HD3  LYS   9           HD1      LYS   9  55.513   6.288   5.830
   95    HE2  LYS   9           HE2      LYS   9  57.490   8.013   4.281
   96    HE3  LYS   9           HE1      LYS   9  57.795   7.398   5.923
   97    HZ1  LYS   9           HZ1      LYS   9  57.237   5.760   3.499
   98    HZ2  LYS   9           HZ2      LYS   9  57.429   5.141   5.070
   99    HZ3  LYS   9           HZ3      LYS   9  58.729   5.910   4.291
  100    H    LEU  10           HN       LEU  10  51.037   6.232   1.176
  101    HA   LEU  10           HA       LEU  10  48.621   6.517   1.215
  102    HB2  LEU  10           HB2      LEU  10  48.812   6.456   4.242
  103    HB3  LEU  10           HB1      LEU  10  47.536   5.801   3.200
  104    HG   LEU  10           HG       LEU  10  50.328   4.622   3.483
  105   HD11  LEU  10          HD11      LEU  10  49.013   4.336   5.536
  106   HD12  LEU  10          HD12      LEU  10  49.116   2.788   4.665
  107   HD13  LEU  10          HD13      LEU  10  47.624   3.755   4.590
  108   HD21  LEU  10          HD21      LEU  10  47.810   3.682   2.044
  109   HD22  LEU  10          HD22      LEU  10  49.289   2.713   2.247
  110   HD23  LEU  10          HD23      LEU  10  49.329   4.204   1.276
  111    H    LYS  11           HN       LYS  11  49.936   8.143   0.310
  112    HA   LYS  11           HA       LYS  11  50.422  10.410   1.087
  113    HB2  LYS  11           HB2      LYS  11  48.160  10.530  -0.663
  114    HB3  LYS  11           HB1      LYS  11  49.603  11.463  -0.828
  115    HG2  LYS  11           HG2      LYS  11  50.484   8.824  -1.182
  116    HG3  LYS  11           HG1      LYS  11  48.867   8.750  -1.869
  117    HD2  LYS  11           HD2      LYS  11  49.356  10.545  -3.420
  118    HD3  LYS  11           HD1      LYS  11  50.931  10.856  -2.653
  119    HE2  LYS  11           HE2      LYS  11  50.977   9.446  -4.797
  120    HE3  LYS  11           HE1      LYS  11  51.816   8.758  -3.386
  121    HZ1  LYS  11           HZ1      LYS  11  49.960   7.464  -4.835
  122    HZ2  LYS  11           HZ2      LYS  11  49.003   8.091  -3.579
  123    HZ3  LYS  11           HZ3      LYS  11  50.337   7.100  -3.223
  124    H    ASN  12           HN       ASN  12  50.157  10.166   3.139
  125    HA   ASN  12           HA       ASN  12  49.337  11.332   4.980
  126    HB2  ASN  12           HB2      ASN  12  47.012  12.559   3.556
  127    HB3  ASN  12           HB1      ASN  12  47.881  13.168   4.971
  128   HD21  ASN  12          HD21      ASN  12  50.483  13.283   4.344
  129   HD22  ASN  12          HD22      ASN  12  50.761  14.204   2.862
  130    H    GLU  13           HN       GLU  13  47.400   9.715   2.785
  131    HA   GLU  13           HA       GLU  13  46.868   7.579   4.371
  132    HB2  GLU  13           HB2      GLU  13  44.965   9.520   5.152
  133    HB3  GLU  13           HB1      GLU  13  44.092   8.392   4.099
  134    HG2  GLU  13           HG2      GLU  13  45.791   7.584   6.483
  135    HG3  GLU  13           HG1      GLU  13  44.014   7.701   6.473
  136    H    ILE  14           HN       ILE  14  47.440   8.976   1.491
  137    HA   ILE  14           HA       ILE  14  47.476   7.538  -0.408
  138    HB   ILE  14           HB       ILE  14  44.603   6.961   0.273
  139   HG12  ILE  14          HG12      ILE  14  46.541   5.488   1.160
  140   HG13  ILE  14          HG11      ILE  14  45.166   4.679   0.406
  141   HG21  ILE  14          HG21      ILE  14  44.402   7.407  -2.028
  142   HG22  ILE  14          HG22      ILE  14  44.626   5.653  -1.964
  143   HG23  ILE  14          HG23      ILE  14  45.998   6.709  -2.378
  144   HD11  ILE  14           HD1      ILE  14  46.378   4.187  -1.571
  145   HD12  ILE  14           HD2      ILE  14  47.576   3.938  -0.290
  146   HD13  ILE  14           HD3      ILE  14  47.609   5.426  -1.249
  147    H    LYS  15           HN       LYS  15  46.470  10.229   1.011
  148    HA   LYS  15           HA       LYS  15  46.826  12.079  -0.753
  149    HB2  LYS  15           HB2      LYS  15  44.456  10.728  -1.863
  150    HB3  LYS  15           HB1      LYS  15  44.595  12.479  -2.069
  151    HG2  LYS  15           HG2      LYS  15  46.440  12.374  -3.493
  152    HG3  LYS  15           HG1      LYS  15  47.013  10.823  -2.855
  153    HD2  LYS  15           HD2      LYS  15  44.898   9.785  -3.949
  154    HD3  LYS  15           HD1      LYS  15  44.714  11.344  -4.783
  155    HE2  LYS  15           HE2      LYS  15  46.977  11.118  -5.742
  156    HE3  LYS  15           HE1      LYS  15  47.188   9.568  -4.892
  157    HZ1  LYS  15           HZ1      LYS  15  45.345   8.655  -6.121
  158    HZ2  LYS  15           HZ2      LYS  15  46.478   9.295  -7.213
  159    HZ3  LYS  15           HZ3      LYS  15  45.045  10.144  -6.878
  160    H    LYS  16           HN       LYS  16  46.854  13.754   0.166
  161    HA   LYS  16           HA       LYS  16  46.041  15.412   1.624
  162    HB2  LYS  16           HB2      LYS  16  44.474  15.541  -0.296
  163    HB3  LYS  16           HB1      LYS  16  43.552  14.202   0.447
  164    HG2  LYS  16           HG2      LYS  16  42.492  16.472   0.851
  165    HG3  LYS  16           HG1      LYS  16  42.955  15.656   2.352
  166    HD2  LYS  16           HD2      LYS  16  43.493  18.116   2.280
  167    HD3  LYS  16           HD1      LYS  16  44.901  17.091   2.603
  168    HE2  LYS  16           HE2      LYS  16  45.151  18.996   0.844
  169    HE3  LYS  16           HE1      LYS  16  45.756  17.388   0.393
  170    HZ1  LYS  16           HZ1      LYS  16  44.472  18.113  -1.412
  171    HZ2  LYS  16           HZ2      LYS  16  43.221  18.697  -0.422
  172    HZ3  LYS  16           HZ3      LYS  16  43.463  17.025  -0.593
  173    H    LYS  17           HN       LYS  17  45.240  12.320   1.456
  174    HA   LYS  17           HA       LYS  17  45.435  10.966   3.596
  175    HB2  LYS  17           HB2      LYS  17  43.265  12.850   4.516
  176    HB3  LYS  17           HB1      LYS  17  43.358  11.230   5.193
  177    HG2  LYS  17           HG2      LYS  17  45.712  11.639   5.876
  178    HG3  LYS  17           HG1      LYS  17  45.587  13.300   5.281
  179    HD2  LYS  17           HD2      LYS  17  43.658  13.681   6.822
  180    HD3  LYS  17           HD1      LYS  17  43.894  12.040   7.470
  181    HE2  LYS  17           HE2      LYS  17  45.022  13.664   8.923
  182    HE3  LYS  17           HE1      LYS  17  46.237  12.660   8.097
  183    HZ1  LYS  17           HZ1      LYS  17  45.362  15.387   7.277
  184    HZ2  LYS  17           HZ2      LYS  17  46.486  14.424   6.442
  185    HZ3  LYS  17           HZ3      LYS  17  46.841  14.988   8.005
  186    H    TRP  18           HN       TRP  18  44.523  10.532   0.943
  187    HA   TRP  18           HA       TRP  18  43.555   8.960  -0.145
  188    HB2  TRP  18           HB2      TRP  18  42.825   7.644   2.064
  189    HB3  TRP  18           HB1      TRP  18  41.295   8.120   1.375
  190    HD1  TRP  18           HD1      TRP  18  41.820   7.726  -1.685
  191    HE1  TRP  18           HE1      TRP  18  41.980   5.325  -2.653
  192    HE3  TRP  18           HE3      TRP  18  42.949   5.193   2.619
  193    HZ2  TRP  18           HZ2      TRP  18  42.521   2.674  -1.669
  194    HZ3  TRP  18           HZ3      TRP  18  43.278   2.726   2.580
  195    HH2  TRP  18           HH2      TRP  18  43.066   1.464   0.443
  196    H    ARG  19           HN       ARG  19  43.425  11.566  -0.364
  197    HA   ARG  19           HA       ARG  19  42.180  12.936  -1.699
  198    HB2  ARG  19           HB2      ARG  19  40.174  10.658  -2.000
  199    HB3  ARG  19           HB1      ARG  19  40.350  12.099  -3.015
  200    HG2  ARG  19           HG2      ARG  19  42.612  11.289  -3.720
  201    HG3  ARG  19           HG1      ARG  19  42.305   9.779  -2.837
  202    HD2  ARG  19           HD2      ARG  19  40.159   9.567  -4.242
  203    HD3  ARG  19           HD1      ARG  19  40.833  10.864  -5.261
  204    HE   ARG  19           HE       ARG  19  42.869   8.944  -5.036
  205   HH11  ARG  19          HH11      ARG  19  41.810   6.582  -5.322
  206   HH12  ARG  19          HH12      ARG  19  41.030   6.457  -6.863
  207   HH21  ARG  19          HH21      ARG  19  40.907   9.884  -7.376
  208   HH22  ARG  19          HH22      ARG  19  40.518   8.326  -8.027
  209    H    LYS  20           HN       LYS  20  42.578  13.071   0.445
  210    HA   LYS  20           HA       LYS  20  42.259  13.371   2.488
  211    HB2  LYS  20           HB2      LYS  20  40.738  15.258   1.717
  212    HB3  LYS  20           HB1      LYS  20  39.551  14.201   2.371
  213    HG2  LYS  20           HG2      LYS  20  40.139  14.561   4.589
  214    HG3  LYS  20           HG1      LYS  20  41.841  14.832   4.183
  215    HD2  LYS  20           HD2      LYS  20  41.296  17.057   3.278
  216    HD3  LYS  20           HD1      LYS  20  39.565  16.771   3.574
  217    HE2  LYS  20           HE2      LYS  20  40.110  16.458   6.023
  218    HE3  LYS  20           HE1      LYS  20  41.777  16.968   5.661
  219    HZ1  LYS  20           HZ1      LYS  20  39.966  18.693   6.391
  220    HZ2  LYS  20           HZ2      LYS  20  39.554  18.658   4.743
  221    HZ3  LYS  20           HZ3      LYS  20  41.124  19.097   5.221
  222    H    ALA  21           HN       ALA  21  41.216  11.034   1.219
  223    HA   ALA  21           HA       ALA  21  41.180   8.998   3.102
  224    HB1  ALA  21           HB1      ALA  21  39.158  10.796   4.379
  225    HB2  ALA  21           HB2      ALA  21  40.739  10.341   5.092
  226    HB3  ALA  21           HB3      ALA  21  39.474   9.116   4.871
  227    H    VAL  22           HN       VAL  22  40.256  10.010   0.667
  228    HA   VAL  22           HA       VAL  22  38.653   9.512  -0.807
  229    HB   VAL  22           HB       VAL  22  36.900   8.091   1.253
  230   HG11  VAL  22          HG11      VAL  22  37.333   7.762  -1.744
  231   HG12  VAL  22          HG12      VAL  22  35.984   8.623  -0.961
  232   HG13  VAL  22          HG13      VAL  22  36.149   6.864  -0.764
  233   HG21  VAL  22          HG21      VAL  22  38.874   6.796   1.590
  234   HG22  VAL  22          HG22      VAL  22  39.385   6.966  -0.105
  235   HG23  VAL  22          HG23      VAL  22  38.019   5.906   0.316
  236    H    ILE  23           HN       ILE  23  39.594  11.520   1.672
  237    HA   ILE  23           HA       ILE  23  36.496  12.404   1.782
  238    HB   ILE  23           HB       ILE  23  38.604  13.006   3.815
  239   HG12  ILE  23          HG12      ILE  23  35.662  12.363   4.149
  240   HG13  ILE  23          HG11      ILE  23  36.880  11.089   3.937
  241   HG21  ILE  23          HG21      ILE  23  37.668  15.237   3.144
  242   HG22  ILE  23          HG22      ILE  23  37.138  14.761   4.766
  243   HG23  ILE  23          HG23      ILE  23  36.035  14.583   3.385
  244   HD11  ILE  23           HD1      ILE  23  38.126  12.266   5.933
  245   HD12  ILE  23           HD2      ILE  23  36.696  11.275   6.287
  246   HD13  ILE  23           HD3      ILE  23  36.555  13.043   6.238
  247    H    ALA  24           HN       ALA  24  39.536  13.244   0.764
  248    HA   ALA  24           HA       ALA  24  38.581  15.526  -0.455
  249    HB1  ALA  24           HB1      ALA  24  41.260  14.838  -0.276
  250    HB2  ALA  24           HB2      ALA  24  40.655  16.313  -0.991
  251    HB3  ALA  24           HB3      ALA  24  40.857  14.855  -1.980
  252    H    TRP  25           HN       TRP  25  38.989  12.790  -0.589
  253    HA   TRP  25           HA       TRP  25  37.985  11.052  -2.164
  254    HB2  TRP  25           HB2      TRP  25  35.953  12.020  -1.231
  255    HB3  TRP  25           HB1      TRP  25  36.005  13.326  -2.422
  256    HD1  TRP  25           HD1      TRP  25  36.483   9.527  -3.086
  257    HE1  TRP  25           HE1      TRP  25  34.713   8.753  -4.821
  258    HE3  TRP  25           HE3      TRP  25  33.860  13.899  -3.570
  259    HZ2  TRP  25           HZ2      TRP  25  32.472   9.900  -6.215
  260    HZ3  TRP  25           HZ3      TRP  25  31.909  14.035  -5.111
  261    HH2  TRP  25           HH2      TRP  25  31.213  12.041  -6.433
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1  62.610  15.018  -6.668
    2    H2   ALA   1           HT2      ALA   1  61.430  15.026  -5.446
    3    H3   ALA   1           HT3      ALA   1  61.868  13.569  -6.201
    4    HA   ALA   1           HA       ALA   1  63.980  15.090  -4.932
    5    HB1  ALA   1           HB1      ALA   1  61.965  13.447  -3.362
    6    HB2  ALA   1           HB2      ALA   1  62.073  15.224  -3.337
    7    HB3  ALA   1           HB3      ALA   1  63.424  14.239  -2.723
    8    H    TRP   2           HN       TRP   2  64.778  13.050  -3.232
    9    HA   TRP   2           HA       TRP   2  65.883  11.163  -5.189
   10    HB2  TRP   2           HB2      TRP   2  66.155  11.398  -2.165
   11    HB3  TRP   2           HB1      TRP   2  67.045  10.228  -3.169
   12    HD1  TRP   2           HD1      TRP   2  67.043  13.813  -2.072
   13    HE1  TRP   2           HE1      TRP   2  69.017  15.110  -3.161
   14    HE3  TRP   2           HE3      TRP   2  68.513  10.311  -5.505
   15    HZ2  TRP   2           HZ2      TRP   2  70.955  14.656  -5.242
   16    HZ3  TRP   2           HZ3      TRP   2  70.427  10.764  -7.032
   17    HH2  TRP   2           HH2      TRP   2  71.648  12.931  -6.904
   18    H    LYS   3           HN       LYS   3  64.498  10.431  -1.968
   19    HA   LYS   3           HA       LYS   3  63.501   7.856  -2.972
   20    HB2  LYS   3           HB2      LYS   3  63.255   9.264  -0.285
   21    HB3  LYS   3           HB1      LYS   3  62.646   7.626  -0.620
   22    HG2  LYS   3           HG2      LYS   3  64.875   6.823  -1.129
   23    HG3  LYS   3           HG1      LYS   3  65.540   8.473  -1.058
   24    HD2  LYS   3           HD2      LYS   3  65.049   8.628   1.324
   25    HD3  LYS   3           HD1      LYS   3  64.209   7.060   1.293
   26    HE2  LYS   3           HE2      LYS   3  67.143   7.438   0.563
   27    HE3  LYS   3           HE1      LYS   3  66.573   6.928   2.170
   28    HZ1  LYS   3           HZ1      LYS   3  66.160   5.511  -0.414
   29    HZ2  LYS   3           HZ2      LYS   3  65.411   5.066   1.044
   30    HZ3  LYS   3           HZ3      LYS   3  67.102   4.995   0.898
   31    H    GLU   4           HN       GLU   4  62.264  11.081  -2.424
   32    HA   GLU   4           HA       GLU   4  60.148  11.984  -2.713
   33    HB2  GLU   4           HB2      GLU   4  59.745   9.544  -4.491
   34    HB3  GLU   4           HB1      GLU   4  58.772  11.033  -4.512
   35    HG2  GLU   4           HG2      GLU   4  60.706  12.353  -5.190
   36    HG3  GLU   4           HG1      GLU   4  61.780  10.944  -5.008
   37    H    LYS   5           HN       LYS   5  60.595  10.160  -0.482
   38    HA   LYS   5           HA       LYS   5  59.393   9.010   1.135
   39    HB2  LYS   5           HB2      LYS   5  56.983  10.438  -0.033
   40    HB3  LYS   5           HB1      LYS   5  57.235   9.918   1.651
   41    HG2  LYS   5           HG2      LYS   5  58.829  12.064   0.172
   42    HG3  LYS   5           HG1      LYS   5  57.598  12.351   1.423
   43    HD2  LYS   5           HD2      LYS   5  59.066  10.839   2.950
   44    HD3  LYS   5           HD1      LYS   5  60.340  11.071   1.728
   45    HE2  LYS   5           HE2      LYS   5  60.165  13.521   1.990
   46    HE3  LYS   5           HE1      LYS   5  58.875  13.307   3.197
   47    HZ1  LYS   5           HZ1      LYS   5  61.748  12.667   3.405
   48    HZ2  LYS   5           HZ2      LYS   5  60.624  11.813   4.352
   49    HZ3  LYS   5           HZ3      LYS   5  60.753  13.501   4.496
   50    H    ILE   6           HN       ILE   6  59.480   8.009  -1.799
   51    HA   ILE   6           HA       ILE   6  58.553   6.262  -3.016
   52    HB   ILE   6           HB       ILE   6  57.499   5.136  -0.387
   53   HG12  ILE   6          HG12      ILE   6  60.385   5.215  -1.383
   54   HG13  ILE   6          HG11      ILE   6  59.752   5.983   0.091
   55   HG21  ILE   6          HG21      ILE   6  57.166   4.013  -2.693
   56   HG22  ILE   6          HG22      ILE   6  57.900   3.017  -1.416
   57   HG23  ILE   6          HG23      ILE   6  58.923   3.733  -2.685
   58   HD11  ILE   6           HD1      ILE   6  60.083   3.023  -0.504
   59   HD12  ILE   6           HD2      ILE   6  58.997   3.596   0.787
   60   HD13  ILE   6           HD3      ILE   6  60.738   3.961   0.858
   61    H    ARG   7           HN       ARG   7  57.028   8.574  -2.843
   62    HA   ARG   7           HA       ARG   7  54.913   9.315  -3.404
   63    HB2  ARG   7           HB2      ARG   7  53.910   6.442  -3.363
   64    HB3  ARG   7           HB1      ARG   7  53.237   7.834  -4.230
   65    HG2  ARG   7           HG2      ARG   7  55.894   6.447  -4.802
   66    HG3  ARG   7           HG1      ARG   7  54.443   6.448  -5.826
   67    HD2  ARG   7           HD2      ARG   7  54.681   9.033  -5.847
   68    HD3  ARG   7           HD1      ARG   7  56.324   8.752  -5.220
   69    HE   ARG   7           HE       ARG   7  55.779   7.133  -7.570
   70   HH11  ARG   7          HH11      ARG   7  58.419   8.006  -7.545
   71   HH12  ARG   7          HH12      ARG   7  58.462   9.456  -8.492
   72   HH21  ARG   7          HH21      ARG   7  55.040   9.989  -8.315
   73   HH22  ARG   7          HH22      ARG   7  56.548  10.578  -8.928
   74    H    LYS   8           HN       LYS   8  55.642   9.535  -0.811
   75    HA   LYS   8           HA       LYS   8  54.653   9.766   1.300
   76    HB2  LYS   8           HB2      LYS   8  52.050   9.244   0.076
   77    HB3  LYS   8           HB1      LYS   8  52.423  10.205   1.516
   78    HG2  LYS   8           HG2      LYS   8  53.192  10.897  -1.358
   79    HG3  LYS   8           HG1      LYS   8  51.972  11.723  -0.357
   80    HD2  LYS   8           HD2      LYS   8  53.914  12.125   1.331
   81    HD3  LYS   8           HD1      LYS   8  54.990  11.694  -0.018
   82    HE2  LYS   8           HE2      LYS   8  54.682  14.131   0.055
   83    HE3  LYS   8           HE1      LYS   8  53.921  13.467  -1.411
   84    HZ1  LYS   8           HZ1      LYS   8  52.004  14.321  -0.746
   85    HZ2  LYS   8           HZ2      LYS   8  52.727  14.940   0.661
   86    HZ3  LYS   8           HZ3      LYS   8  52.044  13.385   0.666
   87    H    LYS   9           HN       LYS   9  52.226   8.542   2.166
   88    HA   LYS   9           HA       LYS   9  52.689   5.712   2.040
   89    HB2  LYS   9           HB2      LYS   9  52.830   5.673   4.686
   90    HB3  LYS   9           HB1      LYS   9  54.327   5.864   3.743
   91    HG2  LYS   9           HG2      LYS   9  54.232   8.297   3.994
   92    HG3  LYS   9           HG1      LYS   9  52.671   8.178   4.839
   93    HD2  LYS   9           HD2      LYS   9  53.748   6.847   6.636
   94    HD3  LYS   9           HD1      LYS   9  55.311   6.987   5.796
   95    HE2  LYS   9           HE2      LYS   9  53.643   9.349   6.766
   96    HE3  LYS   9           HE1      LYS   9  55.047   8.676   7.628
   97    HZ1  LYS   9           HZ1      LYS   9  55.707  10.547   6.275
   98    HZ2  LYS   9           HZ2      LYS   9  55.052   9.831   4.882
   99    HZ3  LYS   9           HZ3      LYS   9  56.394   9.129   5.649
  100    H    LEU  10           HN       LEU  10  50.756   5.988   1.062
  101    HA   LEU  10           HA       LEU  10  48.378   6.328   1.184
  102    HB2  LEU  10           HB2      LEU  10  48.577   6.345   4.197
  103    HB3  LEU  10           HB1      LEU  10  47.288   5.699   3.174
  104    HG   LEU  10           HG       LEU  10  49.994   4.430   3.729
  105   HD11  LEU  10          HD11      LEU  10  48.658   2.638   4.674
  106   HD12  LEU  10          HD12      LEU  10  47.153   3.414   4.127
  107   HD13  LEU  10          HD13      LEU  10  48.133   4.172   5.407
  108   HD21  LEU  10          HD21      LEU  10  49.070   2.570   2.233
  109   HD22  LEU  10          HD22      LEU  10  49.572   4.047   1.379
  110   HD23  LEU  10          HD23      LEU  10  47.847   3.736   1.680
  111    H    LYS  11           HN       LYS  11  50.044   7.984   0.395
  112    HA   LYS  11           HA       LYS  11  50.278  10.229   1.049
  113    HB2  LYS  11           HB2      LYS  11  48.135   9.970  -0.867
  114    HB3  LYS  11           HB1      LYS  11  49.200  11.357  -0.792
  115    HG2  LYS  11           HG2      LYS  11  50.984  10.125  -1.726
  116    HG3  LYS  11           HG1      LYS  11  50.320   8.565  -1.208
  117    HD2  LYS  11           HD2      LYS  11  48.504   8.832  -2.904
  118    HD3  LYS  11           HD1      LYS  11  49.290  10.334  -3.450
  119    HE2  LYS  11           HE2      LYS  11  51.271   9.155  -4.129
  120    HE3  LYS  11           HE1      LYS  11  50.722   7.654  -3.346
  121    HZ1  LYS  11           HZ1      LYS  11  50.388   7.812  -5.827
  122    HZ2  LYS  11           HZ2      LYS  11  49.193   8.979  -5.520
  123    HZ3  LYS  11           HZ3      LYS  11  49.014   7.398  -4.923
  124    H    ASN  12           HN       ASN  12  49.986   9.801   3.108
  125    HA   ASN  12           HA       ASN  12  49.333  10.925   4.999
  126    HB2  ASN  12           HB2      ASN  12  47.068  12.357   3.684
  127    HB3  ASN  12           HB1      ASN  12  47.940  12.812   5.150
  128   HD21  ASN  12          HD21      ASN  12  47.666  13.508   1.853
  129   HD22  ASN  12          HD22      ASN  12  49.266  14.218   1.615
  130    H    GLU  13           HN       GLU  13  47.123   9.632   2.818
  131    HA   GLU  13           HA       GLU  13  46.569   7.416   4.389
  132    HB2  GLU  13           HB2      GLU  13  44.695   9.457   5.085
  133    HB3  GLU  13           HB1      GLU  13  43.833   8.285   4.070
  134    HG2  GLU  13           HG2      GLU  13  43.641   7.611   6.390
  135    HG3  GLU  13           HG1      GLU  13  44.682   6.450   5.531
  136    H    ILE  14           HN       ILE  14  47.274   8.823   1.485
  137    HA   ILE  14           HA       ILE  14  47.243   7.345  -0.402
  138    HB   ILE  14           HB       ILE  14  44.284   6.907   0.158
  139   HG12  ILE  14          HG12      ILE  14  46.299   4.719  -0.426
  140   HG13  ILE  14          HG11      ILE  14  46.249   5.411   1.194
  141   HG21  ILE  14          HG21      ILE  14  44.288   7.182  -2.181
  142   HG22  ILE  14          HG22      ILE  14  44.615   5.448  -2.047
  143   HG23  ILE  14          HG23      ILE  14  45.950   6.580  -2.342
  144   HD11  ILE  14           HD1      ILE  14  43.752   4.373  -0.175
  145   HD12  ILE  14           HD2      ILE  14  43.986   4.743   1.548
  146   HD13  ILE  14           HD3      ILE  14  44.801   3.341   0.820
  147    H    LYS  15           HN       LYS  15  46.468  10.072   0.970
  148    HA   LYS  15           HA       LYS  15  46.933  11.858  -0.777
  149    HB2  LYS  15           HB2      LYS  15  44.441  10.749  -1.903
  150    HB3  LYS  15           HB1      LYS  15  44.826  12.453  -2.161
  151    HG2  LYS  15           HG2      LYS  15  47.101  10.688  -2.836
  152    HG3  LYS  15           HG1      LYS  15  45.677  10.381  -3.840
  153    HD2  LYS  15           HD2      LYS  15  45.578  12.700  -4.533
  154    HD3  LYS  15           HD1      LYS  15  46.847  13.159  -3.372
  155    HE2  LYS  15           HE2      LYS  15  47.438  12.698  -5.952
  156    HE3  LYS  15           HE1      LYS  15  48.557  12.214  -4.658
  157    HZ1  LYS  15           HZ1      LYS  15  48.132  10.432  -6.272
  158    HZ2  LYS  15           HZ2      LYS  15  46.483  10.449  -5.866
  159    HZ3  LYS  15           HZ3      LYS  15  47.641  10.000  -4.708
  160    H    LYS  16           HN       LYS  16  47.074  13.479   0.210
  161    HA   LYS  16           HA       LYS  16  46.419  15.238   1.607
  162    HB2  LYS  16           HB2      LYS  16  44.839  15.392  -0.341
  163    HB3  LYS  16           HB1      LYS  16  43.777  14.265   0.552
  164    HG2  LYS  16           HG2      LYS  16  43.030  16.635   0.851
  165    HG3  LYS  16           HG1      LYS  16  43.611  15.971   2.393
  166    HD2  LYS  16           HD2      LYS  16  45.589  17.254   2.359
  167    HD3  LYS  16           HD1      LYS  16  45.540  17.469   0.593
  168    HE2  LYS  16           HE2      LYS  16  43.522  18.937   0.877
  169    HE3  LYS  16           HE1      LYS  16  43.686  18.770   2.641
  170    HZ1  LYS  16           HZ1      LYS  16  45.935  19.692   2.448
  171    HZ2  LYS  16           HZ2      LYS  16  44.756  20.779   1.887
  172    HZ3  LYS  16           HZ3      LYS  16  45.711  19.911   0.781
  173    H    LYS  17           HN       LYS  17  45.348  12.217   1.421
  174    HA   LYS  17           HA       LYS  17  45.460  10.869   3.601
  175    HB2  LYS  17           HB2      LYS  17  43.445  12.938   4.445
  176    HB3  LYS  17           HB1      LYS  17  43.290  11.316   5.099
  177    HG2  LYS  17           HG2      LYS  17  45.709  11.459   5.856
  178    HG3  LYS  17           HG1      LYS  17  45.677  13.173   5.408
  179    HD2  LYS  17           HD2      LYS  17  43.823  13.588   6.950
  180    HD3  LYS  17           HD1      LYS  17  43.747  11.856   7.357
  181    HE2  LYS  17           HE2      LYS  17  45.017  13.262   9.039
  182    HE3  LYS  17           HE1      LYS  17  45.960  11.922   8.345
  183    HZ1  LYS  17           HZ1      LYS  17  46.998  13.440   6.823
  184    HZ2  LYS  17           HZ2      LYS  17  47.176  14.052   8.399
  185    HZ3  LYS  17           HZ3      LYS  17  46.024  14.726   7.348
  186    H    TRP  18           HN       TRP  18  44.492  10.608   0.904
  187    HA   TRP  18           HA       TRP  18  43.492   9.073  -0.234
  188    HB2  TRP  18           HB2      TRP  18  42.695   7.725   1.838
  189    HB3  TRP  18           HB1      TRP  18  41.209   8.458   1.390
  190    HD1  TRP  18           HD1      TRP  18  42.041   8.209  -1.881
  191    HE1  TRP  18           HE1      TRP  18  41.468   5.942  -2.986
  192    HE3  TRP  18           HE3      TRP  18  41.500   5.361   2.344
  193    HZ2  TRP  18           HZ2      TRP  18  40.852   3.265  -2.139
  194    HZ3  TRP  18           HZ3      TRP  18  40.911   2.949   2.164
  195    HH2  TRP  18           HH2      TRP  18  40.586   1.898  -0.070
  196    H    ARG  19           HN       ARG  19  43.571  11.658  -0.361
  197    HA   ARG  19           HA       ARG  19  42.726  13.038  -2.045
  198    HB2  ARG  19           HB2      ARG  19  40.233  11.520  -1.594
  199    HB3  ARG  19           HB1      ARG  19  40.357  12.865  -2.729
  200    HG2  ARG  19           HG2      ARG  19  42.068  10.337  -2.936
  201    HG3  ARG  19           HG1      ARG  19  40.581  10.570  -3.858
  202    HD2  ARG  19           HD2      ARG  19  43.205  12.067  -4.090
  203    HD3  ARG  19           HD1      ARG  19  42.271  11.247  -5.356
  204    HE   ARG  19           HE       ARG  19  40.582  13.278  -4.497
  205   HH11  ARG  19          HH11      ARG  19  42.234  13.004  -7.140
  206   HH12  ARG  19          HH12      ARG  19  42.946  14.582  -7.202
  207   HH21  ARG  19          HH21      ARG  19  42.184  15.347  -3.908
  208   HH22  ARG  19          HH22      ARG  19  42.916  15.909  -5.374
  209    H    LYS  20           HN       LYS  20  42.322  11.993   0.777
  210    HA   LYS  20           HA       LYS  20  42.535  13.610   2.388
  211    HB2  LYS  20           HB2      LYS  20  41.170  15.422   1.344
  212    HB3  LYS  20           HB1      LYS  20  39.809  14.542   1.984
  213    HG2  LYS  20           HG2      LYS  20  40.310  15.179   4.219
  214    HG3  LYS  20           HG1      LYS  20  42.035  15.277   3.901
  215    HD2  LYS  20           HD2      LYS  20  41.766  17.390   2.739
  216    HD3  LYS  20           HD1      LYS  20  39.996  17.246   2.783
  217    HE2  LYS  20           HE2      LYS  20  40.045  17.339   5.259
  218    HE3  LYS  20           HE1      LYS  20  41.818  17.481   5.218
  219    HZ1  LYS  20           HZ1      LYS  20  40.730  19.642   5.429
  220    HZ2  LYS  20           HZ2      LYS  20  39.903  19.390   3.967
  221    HZ3  LYS  20           HZ3      LYS  20  41.595  19.533   3.975
  222    H    ALA  21           HN       ALA  21  41.201  11.202   1.233
  223    HA   ALA  21           HA       ALA  21  41.290   9.235   3.233
  224    HB1  ALA  21           HB1      ALA  21  39.490  11.229   4.564
  225    HB2  ALA  21           HB2      ALA  21  41.032  10.621   5.210
  226    HB3  ALA  21           HB3      ALA  21  39.630   9.538   5.077
  227    H    VAL  22           HN       VAL  22  40.353  10.275   0.839
  228    HA   VAL  22           HA       VAL  22  38.672   9.883  -0.554
  229    HB   VAL  22           HB       VAL  22  38.270   7.650   1.314
  230   HG11  VAL  22          HG11      VAL  22  35.650   8.891   0.381
  231   HG12  VAL  22          HG12      VAL  22  36.241   8.912   2.066
  232   HG13  VAL  22          HG13      VAL  22  35.862   7.370   1.273
  233   HG21  VAL  22          HG21      VAL  22  38.668   7.613  -1.216
  234   HG22  VAL  22          HG22      VAL  22  36.934   7.967  -1.393
  235   HG23  VAL  22          HG23      VAL  22  37.459   6.476  -0.580
  236    H    ILE  23           HN       ILE  23  39.775  11.799   1.807
  237    HA   ILE  23           HA       ILE  23  36.690  12.499   2.544
  238    HB   ILE  23           HB       ILE  23  39.145  13.473   3.864
  239   HG12  ILE  23          HG12      ILE  23  37.327  11.740   4.676
  240   HG13  ILE  23          HG11      ILE  23  38.019  12.892   5.831
  241   HG21  ILE  23          HG21      ILE  23  37.920  15.447   4.832
  242   HG22  ILE  23          HG22      ILE  23  36.660  15.204   3.606
  243   HG23  ILE  23          HG23      ILE  23  38.288  15.654   3.113
  244   HD11  ILE  23           HD1      ILE  23  35.411  13.371   4.313
  245   HD12  ILE  23           HD2      ILE  23  36.045  14.296   5.697
  246   HD13  ILE  23           HD3      ILE  23  35.498  12.622   5.922
  247    H    ALA  24           HN       ALA  24  38.852  12.822   0.230
  248    HA   ALA  24           HA       ALA  24  37.148  14.635  -0.903
  249    HB1  ALA  24           HB1      ALA  24  39.766  14.895  -1.924
  250    HB2  ALA  24           HB2      ALA  24  39.344  15.825  -0.469
  251    HB3  ALA  24           HB3      ALA  24  38.496  16.121  -2.005
  252    H    TRP  25           HN       TRP  25  38.784  12.398  -0.787
  253    HA   TRP  25           HA       TRP  25  38.773  10.370  -2.485
  254    HB2  TRP  25           HB2      TRP  25  36.524   9.638  -3.035
  255    HB3  TRP  25           HB1      TRP  25  36.542  10.275  -1.377
  256    HD1  TRP  25           HD1      TRP  25  35.297  12.526  -0.889
  257    HE1  TRP  25           HE1      TRP  25  33.513  13.902  -2.182
  258    HE3  TRP  25           HE3      TRP  25  35.727  10.302  -5.488
  259    HZ2  TRP  25           HZ2      TRP  25  32.437  14.000  -4.846
  260    HZ3  TRP  25           HZ3      TRP  25  34.308  11.057  -7.388
  261    HH2  TRP  25           HH2      TRP  25  32.663  12.900  -7.071
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1  62.509  15.294  -2.430
    2    H2   ALA   1           HT2      ALA   1  61.822  13.929  -3.172
    3    H3   ALA   1           HT3      ALA   1  63.356  14.480  -3.652
    4    HA   ALA   1           HA       ALA   1  64.083  14.077  -1.306
    5    HB1  ALA   1           HB1      ALA   1  61.520  12.448  -1.382
    6    HB2  ALA   1           HB2      ALA   1  61.815  13.887  -0.375
    7    HB3  ALA   1           HB3      ALA   1  62.751  12.398  -0.099
    8    H    TRP   2           HN       TRP   2  64.005  13.296  -4.286
    9    HA   TRP   2           HA       TRP   2  65.153  11.746  -5.560
   10    HB2  TRP   2           HB2      TRP   2  65.959  10.192  -3.082
   11    HB3  TRP   2           HB1      TRP   2  66.849  10.423  -4.604
   12    HD1  TRP   2           HD1      TRP   2  66.547  11.767  -1.171
   13    HE1  TRP   2           HE1      TRP   2  67.899  13.969  -0.892
   14    HE3  TRP   2           HE3      TRP   2  67.502  12.756  -6.102
   15    HZ2  TRP   2           HZ2      TRP   2  69.208  15.881  -2.604
   16    HZ3  TRP   2           HZ3      TRP   2  68.804  14.776  -6.756
   17    HH2  TRP   2           HH2      TRP   2  69.657  16.338  -5.012
   18    H    LYS   3           HN       LYS   3  64.164   9.701  -2.775
   19    HA   LYS   3           HA       LYS   3  63.032   7.714  -4.582
   20    HB2  LYS   3           HB2      LYS   3  62.310   6.594  -2.492
   21    HB3  LYS   3           HB1      LYS   3  64.027   7.064  -2.432
   22    HG2  LYS   3           HG2      LYS   3  63.299   9.195  -1.247
   23    HG3  LYS   3           HG1      LYS   3  61.670   8.486  -1.128
   24    HD2  LYS   3           HD2      LYS   3  62.614   6.530   0.076
   25    HD3  LYS   3           HD1      LYS   3  64.235   7.258  -0.023
   26    HE2  LYS   3           HE2      LYS   3  63.355   7.804   2.156
   27    HE3  LYS   3           HE1      LYS   3  63.278   9.291   1.180
   28    HZ1  LYS   3           HZ1      LYS   3  61.129   7.630   2.217
   29    HZ2  LYS   3           HZ2      LYS   3  60.913   8.178   0.624
   30    HZ3  LYS   3           HZ3      LYS   3  61.156   9.293   1.883
   31    H    GLU   4           HN       GLU   4  61.983  10.708  -3.954
   32    HA   GLU   4           HA       GLU   4  59.901  11.740  -3.942
   33    HB2  GLU   4           HB2      GLU   4  58.986   9.199  -5.341
   34    HB3  GLU   4           HB1      GLU   4  58.252  10.817  -5.452
   35    HG2  GLU   4           HG2      GLU   4  60.372  11.688  -6.438
   36    HG3  GLU   4           HG1      GLU   4  61.056  10.045  -6.377
   37    H    LYS   5           HN       LYS   5  60.537  10.250  -1.579
   38    HA   LYS   5           HA       LYS   5  59.505   9.410   0.325
   39    HB2  LYS   5           HB2      LYS   5  57.007  10.666  -0.871
   40    HB3  LYS   5           HB1      LYS   5  57.324  10.327   0.849
   41    HG2  LYS   5           HG2      LYS   5  59.212  11.922   0.831
   42    HG3  LYS   5           HG1      LYS   5  58.931  12.249  -0.896
   43    HD2  LYS   5           HD2      LYS   5  56.756  13.202  -0.440
   44    HD3  LYS   5           HD1      LYS   5  56.823  12.680   1.260
   45    HE2  LYS   5           HE2      LYS   5  58.667  14.198   1.716
   46    HE3  LYS   5           HE1      LYS   5  58.804  14.619  -0.009
   47    HZ1  LYS   5           HZ1      LYS   5  57.391  16.039   1.745
   48    HZ2  LYS   5           HZ2      LYS   5  56.177  14.983   1.196
   49    HZ3  LYS   5           HZ3      LYS   5  57.018  15.965   0.092
   50    H    ILE   6           HN       ILE   6  59.663   7.656  -1.972
   51    HA   ILE   6           HA       ILE   6  58.609   5.803  -2.945
   52    HB   ILE   6           HB       ILE   6  57.923   4.089  -1.262
   53   HG12  ILE   6          HG12      ILE   6  58.512   6.256   0.814
   54   HG13  ILE   6          HG11      ILE   6  56.871   5.759   0.349
   55   HG21  ILE   6          HG21      ILE   6  60.345   4.624  -1.873
   56   HG22  ILE   6          HG22      ILE   6  60.116   3.820  -0.305
   57   HG23  ILE   6          HG23      ILE   6  60.432   5.570  -0.368
   58   HD11  ILE   6           HD1      ILE   6  57.639   3.346   0.940
   59   HD12  ILE   6           HD2      ILE   6  57.354   4.474   2.286
   60   HD13  ILE   6           HD3      ILE   6  59.015   4.131   1.752
   61    H    ARG   7           HN       ARG   7  56.992   8.066  -3.053
   62    HA   ARG   7           HA       ARG   7  54.843   8.576  -3.729
   63    HB2  ARG   7           HB2      ARG   7  53.913   5.775  -2.982
   64    HB3  ARG   7           HB1      ARG   7  53.137   6.941  -4.065
   65    HG2  ARG   7           HG2      ARG   7  55.241   6.816  -5.528
   66    HG3  ARG   7           HG1      ARG   7  55.739   5.424  -4.538
   67    HD2  ARG   7           HD2      ARG   7  53.587   4.288  -5.092
   68    HD3  ARG   7           HD1      ARG   7  53.155   5.660  -6.139
   69    HE   ARG   7           HE       ARG   7  55.700   4.737  -6.983
   70   HH11  ARG   7          HH11      ARG   7  55.593   2.191  -7.296
   71   HH12  ARG   7          HH12      ARG   7  54.323   1.747  -8.388
   72   HH21  ARG   7          HH21      ARG   7  52.694   4.798  -8.151
   73   HH22  ARG   7          HH22      ARG   7  52.682   3.223  -8.872
   74    H    LYS   8           HN       LYS   8  55.618   9.419  -1.216
   75    HA   LYS   8           HA       LYS   8  54.553   9.989   0.848
   76    HB2  LYS   8           HB2      LYS   8  52.509   9.866  -1.189
   77    HB3  LYS   8           HB1      LYS   8  51.909   9.454   0.409
   78    HG2  LYS   8           HG2      LYS   8  51.693  11.889   0.035
   79    HG3  LYS   8           HG1      LYS   8  52.906  11.597   1.297
   80    HD2  LYS   8           HD2      LYS   8  54.717  12.009  -0.233
   81    HD3  LYS   8           HD1      LYS   8  53.642  11.896  -1.644
   82    HE2  LYS   8           HE2      LYS   8  53.367  14.027   0.515
   83    HE3  LYS   8           HE1      LYS   8  54.292  14.262  -0.987
   84    HZ1  LYS   8           HZ1      LYS   8  51.942  15.047  -1.068
   85    HZ2  LYS   8           HZ2      LYS   8  51.436  13.432  -0.919
   86    HZ3  LYS   8           HZ3      LYS   8  52.339  13.920  -2.273
   87    H    LYS   9           HN       LYS   9  52.373   8.922   2.138
   88    HA   LYS   9           HA       LYS   9  52.978   6.054   2.367
   89    HB2  LYS   9           HB2      LYS   9  53.359   8.069   4.595
   90    HB3  LYS   9           HB1      LYS   9  53.035   6.350   4.922
   91    HG2  LYS   9           HG2      LYS   9  55.075   5.654   3.890
   92    HG3  LYS   9           HG1      LYS   9  55.322   7.238   3.122
   93    HD2  LYS   9           HD2      LYS   9  56.799   6.913   5.108
   94    HD3  LYS   9           HD1      LYS   9  55.687   8.287   5.309
   95    HE2  LYS   9           HE2      LYS   9  55.929   6.655   7.306
   96    HE3  LYS   9           HE1      LYS   9  54.279   7.076   6.794
   97    HZ1  LYS   9           HZ1      LYS   9  54.508   4.698   7.118
   98    HZ2  LYS   9           HZ2      LYS   9  55.792   4.632   6.008
   99    HZ3  LYS   9           HZ3      LYS   9  54.227   5.032   5.479
  100    H    LEU  10           HN       LEU  10  51.019   6.208   1.155
  101    HA   LEU  10           HA       LEU  10  48.606   6.492   1.184
  102    HB2  LEU  10           HB2      LEU  10  48.780   6.383   4.212
  103    HB3  LEU  10           HB1      LEU  10  47.505   5.752   3.157
  104    HG   LEU  10           HG       LEU  10  50.291   4.562   3.450
  105   HD11  LEU  10          HD11      LEU  10  47.589   3.489   4.355
  106   HD12  LEU  10          HD12      LEU  10  48.750   4.303   5.431
  107   HD13  LEU  10          HD13      LEU  10  49.186   2.765   4.650
  108   HD21  LEU  10          HD21      LEU  10  49.283   2.685   2.130
  109   HD22  LEU  10          HD22      LEU  10  49.369   4.198   1.199
  110   HD23  LEU  10          HD23      LEU  10  47.820   3.668   1.897
  111    H    LYS  11           HN       LYS  11  49.924   8.132   0.314
  112    HA   LYS  11           HA       LYS  11  50.389  10.386   1.124
  113    HB2  LYS  11           HB2      LYS  11  48.140  10.511  -0.639
  114    HB3  LYS  11           HB1      LYS  11  49.568  11.471  -0.774
  115    HG2  LYS  11           HG2      LYS  11  50.480   8.841  -1.161
  116    HG3  LYS  11           HG1      LYS  11  48.877   8.773  -1.879
  117    HD2  LYS  11           HD2      LYS  11  49.380  10.603  -3.383
  118    HD3  LYS  11           HD1      LYS  11  50.935  10.917  -2.577
  119    HE2  LYS  11           HE2      LYS  11  51.739   8.673  -3.239
  120    HE3  LYS  11           HE1      LYS  11  50.184   8.349  -4.041
  121    HZ1  LYS  11           HZ1      LYS  11  52.415   9.673  -5.082
  122    HZ2  LYS  11           HZ2      LYS  11  51.177  10.826  -4.931
  123    HZ3  LYS  11           HZ3      LYS  11  50.916   9.407  -5.829
  124    H    ASN  12           HN       ASN  12  50.115  10.093   3.167
  125    HA   ASN  12           HA       ASN  12  49.308  11.206   5.030
  126    HB2  ASN  12           HB2      ASN  12  47.011  12.507   3.633
  127    HB3  ASN  12           HB1      ASN  12  47.878  13.061   5.073
  128   HD21  ASN  12          HD21      ASN  12  50.423  13.321   4.569
  129   HD22  ASN  12          HD22      ASN  12  50.760  14.202   3.076
  130    H    GLU  13           HN       GLU  13  47.364   9.652   2.801
  131    HA   GLU  13           HA       GLU  13  46.798   7.494   4.355
  132    HB2  GLU  13           HB2      GLU  13  44.875   9.472   5.085
  133    HB3  GLU  13           HB1      GLU  13  44.030   8.291   4.067
  134    HG2  GLU  13           HG2      GLU  13  45.743   7.598   6.481
  135    HG3  GLU  13           HG1      GLU  13  43.966   7.703   6.483
  136    H    ILE  14           HN       ILE  14  47.407   8.938   1.494
  137    HA   ILE  14           HA       ILE  14  47.450   7.528  -0.428
  138    HB   ILE  14           HB       ILE  14  44.523   6.919   0.128
  139   HG12  ILE  14          HG12      ILE  14  46.644   4.847  -0.483
  140   HG13  ILE  14          HG11      ILE  14  46.551   5.512   1.143
  141   HG21  ILE  14          HG21      ILE  14  44.495   7.222  -2.203
  142   HG22  ILE  14          HG22      ILE  14  44.934   5.511  -2.099
  143   HG23  ILE  14          HG23      ILE  14  46.192   6.731  -2.378
  144   HD11  ILE  14           HD1      ILE  14  44.178   4.276  -0.287
  145   HD12  ILE  14           HD2      ILE  14  44.258   4.793   1.411
  146   HD13  ILE  14           HD3      ILE  14  45.223   3.407   0.858
  147    H    LYS  15           HN       LYS  15  46.498  10.202   0.996
  148    HA   LYS  15           HA       LYS  15  46.830  12.059  -0.753
  149    HB2  LYS  15           HB2      LYS  15  44.418  10.773  -1.833
  150    HB3  LYS  15           HB1      LYS  15  44.651  12.508  -2.083
  151    HG2  LYS  15           HG2      LYS  15  47.063  10.884  -2.805
  152    HG3  LYS  15           HG1      LYS  15  45.639  10.538  -3.809
  153    HD2  LYS  15           HD2      LYS  15  45.404  12.980  -4.281
  154    HD3  LYS  15           HD1      LYS  15  46.868  13.289  -3.317
  155    HE2  LYS  15           HE2      LYS  15  48.256  12.091  -4.855
  156    HE3  LYS  15           HE1      LYS  15  46.853  11.363  -5.673
  157    HZ1  LYS  15           HZ1      LYS  15  47.698  13.166  -6.986
  158    HZ2  LYS  15           HZ2      LYS  15  47.618  14.241  -5.672
  159    HZ3  LYS  15           HZ3      LYS  15  46.190  13.621  -6.355
  160    H    LYS  16           HN       LYS  16  46.906  13.708   0.201
  161    HA   LYS  16           HA       LYS  16  46.114  15.380   1.659
  162    HB2  LYS  16           HB2      LYS  16  44.534  15.522  -0.251
  163    HB3  LYS  16           HB1      LYS  16  43.585  14.218   0.519
  164    HG2  LYS  16           HG2      LYS  16  42.606  16.505   0.925
  165    HG3  LYS  16           HG1      LYS  16  43.100  15.715   2.439
  166    HD2  LYS  16           HD2      LYS  16  44.998  17.107   2.704
  167    HD3  LYS  16           HD1      LYS  16  45.037  17.551   0.981
  168    HE2  LYS  16           HE2      LYS  16  44.203  19.505   1.988
  169    HE3  LYS  16           HE1      LYS  16  42.696  18.690   1.523
  170    HZ1  LYS  16           HZ1      LYS  16  42.220  19.030   3.685
  171    HZ2  LYS  16           HZ2      LYS  16  43.848  19.136   4.159
  172    HZ3  LYS  16           HZ3      LYS  16  43.126  17.616   3.921
  173    H    LYS  17           HN       LYS  17  45.253  12.288   1.466
  174    HA   LYS  17           HA       LYS  17  45.434  10.936   3.623
  175    HB2  LYS  17           HB2      LYS  17  43.293  12.866   4.508
  176    HB3  LYS  17           HB1      LYS  17  43.309  11.238   5.179
  177    HG2  LYS  17           HG2      LYS  17  45.679  11.560   5.898
  178    HG3  LYS  17           HG1      LYS  17  45.586  13.246   5.362
  179    HD2  LYS  17           HD2      LYS  17  43.657  13.616   6.888
  180    HD3  LYS  17           HD1      LYS  17  43.816  11.937   7.460
  181    HE2  LYS  17           HE2      LYS  17  46.173  12.441   8.157
  182    HE3  LYS  17           HE1      LYS  17  45.914  14.139   7.690
  183    HZ1  LYS  17           HZ1      LYS  17  44.652  12.601   9.878
  184    HZ2  LYS  17           HZ2      LYS  17  43.886  13.976   9.237
  185    HZ3  LYS  17           HZ3      LYS  17  45.426  14.109   9.942
  186    H    TRP  18           HN       TRP  18  44.516  10.549   0.962
  187    HA   TRP  18           HA       TRP  18  43.537   8.983  -0.127
  188    HB2  TRP  18           HB2      TRP  18  42.867   7.594   1.977
  189    HB3  TRP  18           HB1      TRP  18  41.324   8.207   1.505
  190    HD1  TRP  18           HD1      TRP  18  42.273   7.915  -1.765
  191    HE1  TRP  18           HE1      TRP  18  41.824   5.587  -2.801
  192    HE3  TRP  18           HE3      TRP  18  41.730   5.193   2.545
  193    HZ2  TRP  18           HZ2      TRP  18  41.293   2.917  -1.875
  194    HZ3  TRP  18           HZ3      TRP  18  41.244   2.754   2.437
  195    HH2  TRP  18           HH2      TRP  18  41.025   1.615   0.234
  196    H    ARG  19           HN       ARG  19  43.398  11.588  -0.304
  197    HA   ARG  19           HA       ARG  19  42.228  12.952  -1.696
  198    HB2  ARG  19           HB2      ARG  19  40.113  10.773  -1.959
  199    HB3  ARG  19           HB1      ARG  19  40.320  12.215  -2.965
  200    HG2  ARG  19           HG2      ARG  19  42.449  10.060  -2.843
  201    HG3  ARG  19           HG1      ARG  19  41.086   9.953  -3.969
  202    HD2  ARG  19           HD2      ARG  19  43.054  12.277  -3.804
  203    HD3  ARG  19           HD1      ARG  19  43.055  11.004  -5.045
  204    HE   ARG  19           HE       ARG  19  40.488  12.383  -4.847
  205   HH11  ARG  19          HH11      ARG  19  40.576  11.902  -7.429
  206   HH12  ARG  19          HH12      ARG  19  41.521  13.120  -8.219
  207   HH21  ARG  19          HH21      ARG  19  43.056  14.197  -5.302
  208   HH22  ARG  19          HH22      ARG  19  42.924  14.419  -7.014
  209    H    LYS  20           HN       LYS  20  42.603  13.148   0.435
  210    HA   LYS  20           HA       LYS  20  42.263  13.489   2.471
  211    HB2  LYS  20           HB2      LYS  20  40.739  15.357   1.649
  212    HB3  LYS  20           HB1      LYS  20  39.547  14.308   2.321
  213    HG2  LYS  20           HG2      LYS  20  40.055  14.814   4.514
  214    HG3  LYS  20           HG1      LYS  20  41.789  14.852   4.190
  215    HD2  LYS  20           HD2      LYS  20  41.251  17.090   4.758
  216    HD3  LYS  20           HD1      LYS  20  41.349  17.120   2.990
  217    HE2  LYS  20           HE2      LYS  20  38.974  17.143   2.754
  218    HE3  LYS  20           HE1      LYS  20  38.722  16.717   4.467
  219    HZ1  LYS  20           HZ1      LYS  20  40.322  19.026   4.306
  220    HZ2  LYS  20           HZ2      LYS  20  38.772  18.853   4.979
  221    HZ3  LYS  20           HZ3      LYS  20  38.948  19.260   3.339
  222    H    ALA  21           HN       ALA  21  41.220  11.112   1.238
  223    HA   ALA  21           HA       ALA  21  41.185   9.119   3.160
  224    HB1  ALA  21           HB1      ALA  21  39.164  10.950   4.390
  225    HB2  ALA  21           HB2      ALA  21  40.735  10.499   5.122
  226    HB3  ALA  21           HB3      ALA  21  39.462   9.278   4.915
  227    H    VAL  22           HN       VAL  22  40.286  10.073   0.692
  228    HA   VAL  22           HA       VAL  22  38.698   9.530  -0.778
  229    HB   VAL  22           HB       VAL  22  36.907   8.173   1.285
  230   HG11  VAL  22          HG11      VAL  22  36.066   6.990  -0.632
  231   HG12  VAL  22          HG12      VAL  22  37.432   7.526  -1.640
  232   HG13  VAL  22          HG13      VAL  22  36.211   8.701  -1.097
  233   HG21  VAL  22          HG21      VAL  22  38.059   5.958   0.442
  234   HG22  VAL  22          HG22      VAL  22  38.851   6.878   1.734
  235   HG23  VAL  22          HG23      VAL  22  39.441   7.011   0.061
  236    H    ILE  23           HN       ILE  23  39.609  11.613   1.670
  237    HA   ILE  23           HA       ILE  23  36.503  12.461   1.742
  238    HB   ILE  23           HB       ILE  23  38.590  13.144   3.773
  239   HG12  ILE  23          HG12      ILE  23  35.656  12.434   4.093
  240   HG13  ILE  23          HG11      ILE  23  36.907  11.192   3.932
  241   HG21  ILE  23          HG21      ILE  23  37.562  15.318   2.991
  242   HG22  ILE  23          HG22      ILE  23  37.152  14.914   4.663
  243   HG23  ILE  23          HG23      ILE  23  35.970  14.640   3.364
  244   HD11  ILE  23           HD1      ILE  23  36.661  11.452   6.275
  245   HD12  ILE  23           HD2      ILE  23  36.527  13.220   6.160
  246   HD13  ILE  23           HD3      ILE  23  38.099  12.427   5.909
  247    H    ALA  24           HN       ALA  24  39.537  13.333   0.733
  248    HA   ALA  24           HA       ALA  24  38.550  15.554  -0.566
  249    HB1  ALA  24           HB1      ALA  24  41.224  14.955  -0.344
  250    HB2  ALA  24           HB2      ALA  24  40.594  16.313  -1.254
  251    HB3  ALA  24           HB3      ALA  24  40.838  14.747  -2.044
  252    H    TRP  25           HN       TRP  25  38.960  12.816  -0.577
  253    HA   TRP  25           HA       TRP  25  37.890  11.006  -1.979
  254    HB2  TRP  25           HB2      TRP  25  35.907  12.205  -1.158
  255    HB3  TRP  25           HB1      TRP  25  35.974  13.258  -2.579
  256    HD1  TRP  25           HD1      TRP  25  36.845   9.752  -3.553
  257    HE1  TRP  25           HE1      TRP  25  34.838   8.589  -4.700
  258    HE3  TRP  25           HE3      TRP  25  33.163  13.123  -2.377
  259    HZ2  TRP  25           HZ2      TRP  25  32.025   9.068  -5.053
  260    HZ3  TRP  25           HZ3      TRP  25  30.823  12.742  -3.136
  261    HH2  TRP  25           HH2      TRP  25  30.251  10.719  -4.471
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1  62.364  13.869  -5.465
    2    H2   ALA   1           HT2      ALA   1  63.056  14.199  -6.981
    3    H3   ALA   1           HT3      ALA   1  63.004  15.405  -5.786
    4    HA   ALA   1           HA       ALA   1  65.142  14.746  -5.623
    5    HB1  ALA   1           HB1      ALA   1  63.509  12.967  -3.783
    6    HB2  ALA   1           HB2      ALA   1  64.145  14.592  -3.432
    7    HB3  ALA   1           HB3      ALA   1  65.262  13.220  -3.629
    8    H    TRP   2           HN       TRP   2  63.619  11.558  -5.092
    9    HA   TRP   2           HA       TRP   2  64.609  10.413  -7.554
   10    HB2  TRP   2           HB2      TRP   2  66.766  10.788  -6.242
   11    HB3  TRP   2           HB1      TRP   2  66.158   9.602  -5.064
   12    HD1  TRP   2           HD1      TRP   2  66.081   7.076  -5.779
   13    HE1  TRP   2           HE1      TRP   2  67.104   5.731  -7.755
   14    HE3  TRP   2           HE3      TRP   2  67.404  10.982  -8.814
   15    HZ2  TRP   2           HZ2      TRP   2  68.327   6.306 -10.298
   16    HZ3  TRP   2           HZ3      TRP   2  68.499  10.560 -11.009
   17    HH2  TRP   2           HH2      TRP   2  68.962   8.229 -11.753
   18    H    LYS   3           HN       LYS   3  62.591  10.545  -5.040
   19    HA   LYS   3           HA       LYS   3  61.483   7.891  -5.593
   20    HB2  LYS   3           HB2      LYS   3  61.518   7.229  -3.134
   21    HB3  LYS   3           HB1      LYS   3  63.089   7.146  -3.969
   22    HG2  LYS   3           HG2      LYS   3  63.831   9.210  -2.992
   23    HG3  LYS   3           HG1      LYS   3  62.198   9.602  -2.407
   24    HD2  LYS   3           HD2      LYS   3  63.558   8.782  -0.540
   25    HD3  LYS   3           HD1      LYS   3  62.280   7.602  -0.911
   26    HE2  LYS   3           HE2      LYS   3  63.801   6.111  -1.965
   27    HE3  LYS   3           HE1      LYS   3  65.052   7.366  -2.139
   28    HZ1  LYS   3           HZ1      LYS   3  64.229   6.936   0.586
   29    HZ2  LYS   3           HZ2      LYS   3  65.790   6.998  -0.084
   30    HZ3  LYS   3           HZ3      LYS   3  64.901   5.550  -0.126
   31    H    GLU   4           HN       GLU   4  61.488  11.030  -4.099
   32    HA   GLU   4           HA       GLU   4  59.773  12.347  -3.270
   33    HB2  GLU   4           HB2      GLU   4  59.015  11.830  -5.676
   34    HB3  GLU   4           HB1      GLU   4  57.901  10.645  -4.957
   35    HG2  GLU   4           HG2      GLU   4  56.868  12.421  -3.587
   36    HG3  GLU   4           HG1      GLU   4  58.015  13.613  -4.246
   37    H    LYS   5           HN       LYS   5  60.441  10.640  -1.387
   38    HA   LYS   5           HA       LYS   5  59.667   9.521   0.500
   39    HB2  LYS   5           HB2      LYS   5  56.947  10.659  -0.221
   40    HB3  LYS   5           HB1      LYS   5  57.567  10.246   1.397
   41    HG2  LYS   5           HG2      LYS   5  58.557  12.484  -0.424
   42    HG3  LYS   5           HG1      LYS   5  57.668  12.670   1.107
   43    HD2  LYS   5           HD2      LYS   5  59.643  11.340   2.179
   44    HD3  LYS   5           HD1      LYS   5  60.520  11.702   0.672
   45    HE2  LYS   5           HE2      LYS   5  60.023  14.143   1.034
   46    HE3  LYS   5           HE1      LYS   5  59.312  13.720   2.610
   47    HZ1  LYS   5           HZ1      LYS   5  61.402  14.012   3.333
   48    HZ2  LYS   5           HZ2      LYS   5  62.093  13.817   1.793
   49    HZ3  LYS   5           HZ3      LYS   5  61.675  12.455   2.718
   50    H    ILE   6           HN       ILE   6  59.481   8.242  -2.217
   51    HA   ILE   6           HA       ILE   6  58.570   6.326  -3.151
   52    HB   ILE   6           HB       ILE   6  57.682   5.469  -0.365
   53   HG12  ILE   6          HG12      ILE   6  60.528   5.551  -1.472
   54   HG13  ILE   6          HG11      ILE   6  59.911   6.465  -0.077
   55   HG21  ILE   6          HG21      ILE   6  58.128   3.268  -1.160
   56   HG22  ILE   6          HG22      ILE   6  59.107   3.861  -2.523
   57   HG23  ILE   6          HG23      ILE   6  57.343   4.076  -2.533
   58   HD11  ILE   6           HD1      ILE   6  59.287   4.162   0.934
   59   HD12  ILE   6           HD2      ILE   6  61.014   4.586   0.879
   60   HD13  ILE   6           HD3      ILE   6  60.334   3.467  -0.327
   61    H    ARG   7           HN       ARG   7  56.959   8.676  -2.954
   62    HA   ARG   7           HA       ARG   7  54.802   9.300  -3.482
   63    HB2  ARG   7           HB2      ARG   7  53.967   6.377  -3.364
   64    HB3  ARG   7           HB1      ARG   7  53.150   7.718  -4.188
   65    HG2  ARG   7           HG2      ARG   7  55.075   7.986  -5.715
   66    HG3  ARG   7           HG1      ARG   7  55.924   6.656  -4.892
   67    HD2  ARG   7           HD2      ARG   7  54.761   5.926  -6.994
   68    HD3  ARG   7           HD1      ARG   7  54.181   5.074  -5.542
   69    HE   ARG   7           HE       ARG   7  52.496   7.313  -5.873
   70   HH11  ARG   7          HH11      ARG   7  52.409   4.079  -6.329
   71   HH12  ARG   7          HH12      ARG   7  51.355   4.078  -7.703
   72   HH21  ARG   7          HH21      ARG   7  51.572   7.502  -8.206
   73   HH22  ARG   7          HH22      ARG   7  50.881   6.016  -8.765
   74    H    LYS   8           HN       LYS   8  55.558   9.654  -0.947
   75    HA   LYS   8           HA       LYS   8  54.631   9.933   1.178
   76    HB2  LYS   8           HB2      LYS   8  52.023   9.274   0.033
   77    HB3  LYS   8           HB1      LYS   8  52.394  10.314   1.422
   78    HG2  LYS   8           HG2      LYS   8  53.090  10.891  -1.495
   79    HG3  LYS   8           HG1      LYS   8  51.864  11.729  -0.512
   80    HD2  LYS   8           HD2      LYS   8  53.823  12.270   1.117
   81    HD3  LYS   8           HD1      LYS   8  54.888  11.802  -0.230
   82    HE2  LYS   8           HE2      LYS   8  53.825  13.486  -1.684
   83    HE3  LYS   8           HE1      LYS   8  52.717  13.940  -0.367
   84    HZ1  LYS   8           HZ1      LYS   8  55.495  13.962   0.398
   85    HZ2  LYS   8           HZ2      LYS   8  54.294  15.139   0.628
   86    HZ3  LYS   8           HZ3      LYS   8  55.140  15.061  -0.842
   87    H    LYS   9           HN       LYS   9  52.300   8.728   2.240
   88    HA   LYS   9           HA       LYS   9  52.870   5.883   2.288
   89    HB2  LYS   9           HB2      LYS   9  53.275   7.630   4.743
   90    HB3  LYS   9           HB1      LYS   9  53.038   5.873   4.820
   91    HG2  LYS   9           HG2      LYS   9  55.327   7.247   3.334
   92    HG3  LYS   9           HG1      LYS   9  55.445   6.568   4.967
   93    HD2  LYS   9           HD2      LYS   9  54.564   4.349   3.863
   94    HD3  LYS   9           HD1      LYS   9  55.056   5.109   2.331
   95    HE2  LYS   9           HE2      LYS   9  56.913   3.773   3.136
   96    HE3  LYS   9           HE1      LYS   9  57.341   5.489   3.329
   97    HZ1  LYS   9           HZ1      LYS   9  57.715   3.878   5.287
   98    HZ2  LYS   9           HZ2      LYS   9  56.040   4.014   5.534
   99    HZ3  LYS   9           HZ3      LYS   9  57.027   5.395   5.603
  100    H    LEU  10           HN       LEU  10  50.916   5.990   1.252
  101    HA   LEU  10           HA       LEU  10  48.524   6.271   1.333
  102    HB2  LEU  10           HB2      LEU  10  48.724   6.451   4.345
  103    HB3  LEU  10           HB1      LEU  10  47.439   5.742   3.363
  104    HG   LEU  10           HG       LEU  10  50.203   4.528   3.742
  105   HD11  LEU  10          HD11      LEU  10  48.936   2.798   5.014
  106   HD12  LEU  10          HD12      LEU  10  47.466   3.789   4.854
  107   HD13  LEU  10          HD13      LEU  10  48.854   4.400   5.785
  108   HD21  LEU  10          HD21      LEU  10  49.139   2.562   2.614
  109   HD22  LEU  10          HD22      LEU  10  49.237   3.981   1.546
  110   HD23  LEU  10          HD23      LEU  10  47.690   3.548   2.314
  111    H    LYS  11           HN       LYS  11  50.071   7.965   0.438
  112    HA   LYS  11           HA       LYS  11  50.260  10.255   0.998
  113    HB2  LYS  11           HB2      LYS  11  48.084   9.840  -0.856
  114    HB3  LYS  11           HB1      LYS  11  49.103  11.262  -0.863
  115    HG2  LYS  11           HG2      LYS  11  50.903  10.044  -1.787
  116    HG3  LYS  11           HG1      LYS  11  50.284   8.486  -1.208
  117    HD2  LYS  11           HD2      LYS  11  48.428   8.657  -2.865
  118    HD3  LYS  11           HD1      LYS  11  49.146  10.175  -3.465
  119    HE2  LYS  11           HE2      LYS  11  51.177   9.030  -4.125
  120    HE3  LYS  11           HE1      LYS  11  50.626   7.517  -3.365
  121    HZ1  LYS  11           HZ1      LYS  11  49.760   7.031  -5.342
  122    HZ2  LYS  11           HZ2      LYS  11  49.982   8.607  -5.936
  123    HZ3  LYS  11           HZ3      LYS  11  48.587   8.220  -5.046
  124    H    ASN  12           HN       ASN  12  50.007   9.922   3.090
  125    HA   ASN  12           HA       ASN  12  49.326  11.078   4.942
  126    HB2  ASN  12           HB2      ASN  12  47.038  12.424   3.557
  127    HB3  ASN  12           HB1      ASN  12  47.852  12.919   5.044
  128   HD21  ASN  12          HD21      ASN  12  50.564  12.217   3.868
  129   HD22  ASN  12          HD22      ASN  12  50.907  13.543   2.752
  130    H    GLU  13           HN       GLU  13  47.151   9.623   2.826
  131    HA   GLU  13           HA       GLU  13  46.650   7.476   4.506
  132    HB2  GLU  13           HB2      GLU  13  44.743   9.524   5.104
  133    HB3  GLU  13           HB1      GLU  13  43.892   8.287   4.161
  134    HG2  GLU  13           HG2      GLU  13  44.755   6.548   5.716
  135    HG3  GLU  13           HG1      GLU  13  45.521   7.828   6.686
  136    H    ILE  14           HN       ILE  14  47.337   8.733   1.554
  137    HA   ILE  14           HA       ILE  14  47.319   7.214  -0.286
  138    HB   ILE  14           HB       ILE  14  44.386   6.674   0.308
  139   HG12  ILE  14          HG12      ILE  14  46.491   4.545  -0.146
  140   HG13  ILE  14          HG11      ILE  14  46.402   5.326   1.431
  141   HG21  ILE  14          HG21      ILE  14  44.358   6.805  -2.032
  142   HG22  ILE  14          HG22      ILE  14  44.810   5.107  -1.816
  143   HG23  ILE  14          HG23      ILE  14  46.060   6.316  -2.172
  144   HD11  ILE  14           HD1      ILE  14  44.061   4.679   1.689
  145   HD12  ILE  14           HD2      ILE  14  45.057   3.245   1.354
  146   HD13  ILE  14           HD3      ILE  14  44.062   3.955   0.066
  147    H    LYS  15           HN       LYS  15  46.472   9.949   0.974
  148    HA   LYS  15           HA       LYS  15  46.823  11.664  -0.886
  149    HB2  LYS  15           HB2      LYS  15  44.333  10.417  -1.816
  150    HB3  LYS  15           HB1      LYS  15  44.575  12.136  -2.136
  151    HG2  LYS  15           HG2      LYS  15  46.904  10.433  -2.913
  152    HG3  LYS  15           HG1      LYS  15  45.431  10.114  -3.847
  153    HD2  LYS  15           HD2      LYS  15  45.261  12.458  -4.489
  154    HD3  LYS  15           HD1      LYS  15  46.610  12.896  -3.415
  155    HE2  LYS  15           HE2      LYS  15  47.070  12.536  -5.994
  156    HE3  LYS  15           HE1      LYS  15  48.219  11.883  -4.804
  157    HZ1  LYS  15           HZ1      LYS  15  47.460  10.320  -6.615
  158    HZ2  LYS  15           HZ2      LYS  15  45.940  10.299  -5.859
  159    HZ3  LYS  15           HZ3      LYS  15  47.312   9.741  -5.028
  160    H    LYS  16           HN       LYS  16  46.993  13.390  -0.060
  161    HA   LYS  16           HA       LYS  16  46.297  15.186   1.306
  162    HB2  LYS  16           HB2      LYS  16  44.718  15.180  -0.635
  163    HB3  LYS  16           HB1      LYS  16  43.697  14.052   0.300
  164    HG2  LYS  16           HG2      LYS  16  42.881  16.444   0.422
  165    HG3  LYS  16           HG1      LYS  16  43.349  15.821   2.019
  166    HD2  LYS  16           HD2      LYS  16  45.294  17.139   2.125
  167    HD3  LYS  16           HD1      LYS  16  45.429  17.270   0.356
  168    HE2  LYS  16           HE2      LYS  16  43.347  18.656   2.105
  169    HE3  LYS  16           HE1      LYS  16  44.747  19.425   1.327
  170    HZ1  LYS  16           HZ1      LYS  16  43.310  19.795  -0.331
  171    HZ2  LYS  16           HZ2      LYS  16  42.217  18.600   0.186
  172    HZ3  LYS  16           HZ3      LYS  16  43.574  18.170  -0.741
  173    H    LYS  17           HN       LYS  17  45.311  12.125   1.346
  174    HA   LYS  17           HA       LYS  17  45.446  10.925   3.602
  175    HB2  LYS  17           HB2      LYS  17  43.409  13.005   4.386
  176    HB3  LYS  17           HB1      LYS  17  43.360  11.429   5.159
  177    HG2  LYS  17           HG2      LYS  17  45.863  11.770   5.712
  178    HG3  LYS  17           HG1      LYS  17  45.614  13.459   5.255
  179    HD2  LYS  17           HD2      LYS  17  45.154  13.603   7.535
  180    HD3  LYS  17           HD1      LYS  17  43.521  13.271   6.919
  181    HE2  LYS  17           HE2      LYS  17  43.982  11.805   8.825
  182    HE3  LYS  17           HE1      LYS  17  43.912  10.818   7.348
  183    HZ1  LYS  17           HZ1      LYS  17  45.935  10.104   7.863
  184    HZ2  LYS  17           HZ2      LYS  17  46.076  11.207   9.148
  185    HZ3  LYS  17           HZ3      LYS  17  46.532  11.666   7.577
  186    H    TRP  18           HN       TRP  18  44.481  10.392   0.991
  187    HA   TRP  18           HA       TRP  18  43.450   8.782   0.029
  188    HB2  TRP  18           HB2      TRP  18  42.688   7.604   2.249
  189    HB3  TRP  18           HB1      TRP  18  41.174   8.206   1.658
  190    HD1  TRP  18           HD1      TRP  18  42.192   7.624  -1.525
  191    HE1  TRP  18           HE1      TRP  18  41.751   5.220  -2.378
  192    HE3  TRP  18           HE3      TRP  18  41.541   5.264   2.980
  193    HZ2  TRP  18           HZ2      TRP  18  41.183   2.639  -1.249
  194    HZ3  TRP  18           HZ3      TRP  18  41.040   2.827   3.060
  195    HH2  TRP  18           HH2      TRP  18  40.860   1.513   0.952
  196    H    ARG  19           HN       ARG  19  43.398  11.380  -0.349
  197    HA   ARG  19           HA       ARG  19  42.262  12.688  -1.828
  198    HB2  ARG  19           HB2      ARG  19  40.054  10.588  -1.904
  199    HB3  ARG  19           HB1      ARG  19  40.305  11.941  -3.009
  200    HG2  ARG  19           HG2      ARG  19  42.339   9.709  -2.770
  201    HG3  ARG  19           HG1      ARG  19  40.951   9.586  -3.865
  202    HD2  ARG  19           HD2      ARG  19  41.633  11.697  -4.973
  203    HD3  ARG  19           HD1      ARG  19  43.039  11.809  -3.892
  204    HE   ARG  19           HE       ARG  19  43.281   9.296  -5.060
  205   HH11  ARG  19          HH11      ARG  19  44.212   8.909  -7.089
  206   HH12  ARG  19          HH12      ARG  19  44.511  10.242  -8.153
  207   HH21  ARG  19          HH21      ARG  19  43.096  12.594  -6.034
  208   HH22  ARG  19          HH22      ARG  19  43.879  12.329  -7.556
  209    H    LYS  20           HN       LYS  20  42.722  12.933   0.296
  210    HA   LYS  20           HA       LYS  20  42.479  13.426   2.310
  211    HB2  LYS  20           HB2      LYS  20  41.096  15.350   1.433
  212    HB3  LYS  20           HB1      LYS  20  39.834  14.435   2.169
  213    HG2  LYS  20           HG2      LYS  20  40.512  14.884   4.360
  214    HG3  LYS  20           HG1      LYS  20  42.210  15.050   3.887
  215    HD2  LYS  20           HD2      LYS  20  41.597  17.224   2.744
  216    HD3  LYS  20           HD1      LYS  20  39.960  17.051   3.408
  217    HE2  LYS  20           HE2      LYS  20  42.484  17.059   5.113
  218    HE3  LYS  20           HE1      LYS  20  41.493  18.504   4.801
  219    HZ1  LYS  20           HZ1      LYS  20  39.615  17.440   5.809
  220    HZ2  LYS  20           HZ2      LYS  20  40.923  17.344   6.889
  221    HZ3  LYS  20           HZ3      LYS  20  40.458  15.979   5.991
  222    H    ALA  21           HN       ALA  21  41.210  11.089   1.249
  223    HA   ALA  21           HA       ALA  21  41.100   9.198   3.287
  224    HB1  ALA  21           HB1      ALA  21  39.232  11.235   4.441
  225    HB2  ALA  21           HB2      ALA  21  40.774  10.701   5.181
  226    HB3  ALA  21           HB3      ALA  21  39.411   9.573   5.052
  227    H    VAL  22           HN       VAL  22  40.229  10.077   0.789
  228    HA   VAL  22           HA       VAL  22  38.576   9.591  -0.631
  229    HB   VAL  22           HB       VAL  22  36.747   8.442   1.524
  230   HG11  VAL  22          HG11      VAL  22  37.155   7.721  -1.405
  231   HG12  VAL  22          HG12      VAL  22  35.969   8.911  -0.816
  232   HG13  VAL  22          HG13      VAL  22  35.823   7.201  -0.345
  233   HG21  VAL  22          HG21      VAL  22  38.629   7.047   1.967
  234   HG22  VAL  22          HG22      VAL  22  39.151   7.058   0.267
  235   HG23  VAL  22          HG23      VAL  22  37.717   6.124   0.757
  236    H    ILE  23           HN       ILE  23  39.676  11.712   1.683
  237    HA   ILE  23           HA       ILE  23  36.644  12.780   1.794
  238    HB   ILE  23           HB       ILE  23  38.845  13.431   3.702
  239   HG12  ILE  23          HG12      ILE  23  36.971  11.603   3.988
  240   HG13  ILE  23          HG11      ILE  23  37.382  12.657   5.352
  241   HG21  ILE  23          HG21      ILE  23  38.106  15.643   3.013
  242   HG22  ILE  23          HG22      ILE  23  37.368  15.283   4.582
  243   HG23  ILE  23          HG23      ILE  23  36.409  15.145   3.090
  244   HD11  ILE  23           HD1      ILE  23  35.084  13.236   3.421
  245   HD12  ILE  23           HD2      ILE  23  35.421  14.031   4.974
  246   HD13  ILE  23           HD3      ILE  23  34.896  12.336   4.940
  247    H    ALA  24           HN       ALA  24  39.696  13.383   0.654
  248    HA   ALA  24           HA       ALA  24  38.837  15.618  -0.712
  249    HB1  ALA  24           HB1      ALA  24  41.022  14.621  -2.219
  250    HB2  ALA  24           HB2      ALA  24  41.469  14.799  -0.536
  251    HB3  ALA  24           HB3      ALA  24  40.927  16.204  -1.433
  252    H    TRP  25           HN       TRP  25  39.051  12.859  -0.627
  253    HA   TRP  25           HA       TRP  25  37.866  11.070  -1.971
  254    HB2  TRP  25           HB2      TRP  25  35.948  12.327  -1.130
  255    HB3  TRP  25           HB1      TRP  25  36.061  13.433  -2.505
  256    HD1  TRP  25           HD1      TRP  25  36.683   9.851  -3.488
  257    HE1  TRP  25           HE1      TRP  25  34.623   8.877  -4.720
  258    HE3  TRP  25           HE3      TRP  25  33.291  13.560  -2.469
  259    HZ2  TRP  25           HZ2      TRP  25  31.887   9.617  -5.189
  260    HZ3  TRP  25           HZ3      TRP  25  30.958  13.398  -3.325
  261    HH2  TRP  25           HH2      TRP  25  30.254  11.432  -4.683
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1  62.277  14.708  -2.552
    2    H2   ALA   1           HT2      ALA   1  63.133  16.076  -3.084
    3    H3   ALA   1           HT3      ALA   1  62.597  15.976  -1.474
    4    HA   ALA   1           HA       ALA   1  64.934  15.565  -1.599
    5    HB1  ALA   1           HB1      ALA   1  63.183  13.165  -0.978
    6    HB2  ALA   1           HB2      ALA   1  63.727  14.429   0.151
    7    HB3  ALA   1           HB3      ALA   1  64.902  13.286  -0.540
    8    H    TRP   2           HN       TRP   2  63.771  12.369  -2.524
    9    HA   TRP   2           HA       TRP   2  64.805  12.465  -5.234
   10    HB2  TRP   2           HB2      TRP   2  66.954  12.507  -3.965
   11    HB3  TRP   2           HB1      TRP   2  66.489  10.982  -3.175
   12    HD1  TRP   2           HD1      TRP   2  66.659   8.779  -4.557
   13    HE1  TRP   2           HE1      TRP   2  67.657   8.158  -6.875
   14    HE3  TRP   2           HE3      TRP   2  67.332  13.494  -6.435
   15    HZ2  TRP   2           HZ2      TRP   2  68.610   9.547  -9.210
   16    HZ3  TRP   2           HZ3      TRP   2  68.287  13.821  -8.711
   17    HH2  TRP   2           HH2      TRP   2  68.926  11.854 -10.099
   18    H    LYS   3           HN       LYS   3  64.224  10.419  -2.358
   19    HA   LYS   3           HA       LYS   3  63.399   8.127  -3.981
   20    HB2  LYS   3           HB2      LYS   3  62.908   8.660  -1.023
   21    HB3  LYS   3           HB1      LYS   3  62.829   7.091  -1.851
   22    HG2  LYS   3           HG2      LYS   3  65.369   8.775  -1.824
   23    HG3  LYS   3           HG1      LYS   3  64.991   7.621  -0.530
   24    HD2  LYS   3           HD2      LYS   3  64.741   5.833  -2.330
   25    HD3  LYS   3           HD1      LYS   3  65.395   7.013  -3.489
   26    HE2  LYS   3           HE2      LYS   3  67.231   5.642  -2.682
   27    HE3  LYS   3           HE1      LYS   3  67.406   7.274  -1.992
   28    HZ1  LYS   3           HZ1      LYS   3  66.846   4.757  -0.676
   29    HZ2  LYS   3           HZ2      LYS   3  65.859   6.042  -0.165
   30    HZ3  LYS   3           HZ3      LYS   3  67.550   6.174  -0.063
   31    H    GLU   4           HN       GLU   4  62.000  11.077  -3.289
   32    HA   GLU   4           HA       GLU   4  59.828  11.873  -3.436
   33    HB2  GLU   4           HB2      GLU   4  59.251   9.258  -4.883
   34    HB3  GLU   4           HB1      GLU   4  58.349  10.786  -5.015
   35    HG2  GLU   4           HG2      GLU   4  61.276  10.403  -5.794
   36    HG3  GLU   4           HG1      GLU   4  59.909  10.454  -6.933
   37    H    LYS   5           HN       LYS   5  60.668   9.989  -1.206
   38    HA   LYS   5           HA       LYS   5  59.666   8.926   0.605
   39    HB2  LYS   5           HB2      LYS   5  57.306  10.629  -0.283
   40    HB3  LYS   5           HB1      LYS   5  57.474   9.841   1.304
   41    HG2  LYS   5           HG2      LYS   5  59.328  11.215   1.923
   42    HG3  LYS   5           HG1      LYS   5  59.597  11.755   0.251
   43    HD2  LYS   5           HD2      LYS   5  58.546  13.584   1.421
   44    HD3  LYS   5           HD1      LYS   5  57.319  12.887   0.342
   45    HE2  LYS   5           HE2      LYS   5  56.460  13.374   2.657
   46    HE3  LYS   5           HE1      LYS   5  56.305  11.664   2.199
   47    HZ1  LYS   5           HZ1      LYS   5  57.638  11.082   3.861
   48    HZ2  LYS   5           HZ2      LYS   5  57.577  12.684   4.423
   49    HZ3  LYS   5           HZ3      LYS   5  58.837  12.189   3.396
   50    H    ILE   6           HN       ILE   6  59.611   7.512  -1.887
   51    HA   ILE   6           HA       ILE   6  58.426   5.880  -3.047
   52    HB   ILE   6           HB       ILE   6  59.163   4.683  -0.998
   53   HG12  ILE   6          HG12      ILE   6  56.392   3.562  -1.504
   54   HG13  ILE   6          HG11      ILE   6  57.482   3.721  -2.897
   55   HG21  ILE   6          HG21      ILE   6  58.073   5.858   0.780
   56   HG22  ILE   6          HG22      ILE   6  57.383   4.224   0.779
   57   HG23  ILE   6          HG23      ILE   6  56.458   5.573   0.091
   58   HD11  ILE   6           HD1      ILE   6  59.199   2.392  -1.728
   59   HD12  ILE   6           HD2      ILE   6  57.668   1.490  -1.822
   60   HD13  ILE   6           HD3      ILE   6  58.150   2.269  -0.297
   61    H    ARG   7           HN       ARG   7  57.091   8.365  -2.827
   62    HA   ARG   7           HA       ARG   7  55.039   9.257  -3.397
   63    HB2  ARG   7           HB2      ARG   7  53.866   6.450  -3.455
   64    HB3  ARG   7           HB1      ARG   7  53.280   7.906  -4.280
   65    HG2  ARG   7           HG2      ARG   7  55.434   7.966  -5.592
   66    HG3  ARG   7           HG1      ARG   7  55.864   6.400  -4.868
   67    HD2  ARG   7           HD2      ARG   7  53.734   5.440  -5.770
   68    HD3  ARG   7           HD1      ARG   7  53.414   6.991  -6.580
   69    HE   ARG   7           HE       ARG   7  54.950   6.326  -8.234
   70   HH11  ARG   7          HH11      ARG   7  57.507   6.214  -7.509
   71   HH12  ARG   7          HH12      ARG   7  57.924   4.570  -7.161
   72   HH21  ARG   7          HH21      ARG   7  54.634   3.529  -6.821
   73   HH22  ARG   7          HH22      ARG   7  56.297   3.050  -6.771
   74    H    LYS   8           HN       LYS   8  55.709   9.451  -0.841
   75    HA   LYS   8           HA       LYS   8  54.734   9.721   1.267
   76    HB2  LYS   8           HB2      LYS   8  52.121   9.262   0.043
   77    HB3  LYS   8           HB1      LYS   8  52.518  10.223   1.480
   78    HG2  LYS   8           HG2      LYS   8  53.290  10.875  -1.405
   79    HG3  LYS   8           HG1      LYS   8  52.126  11.757  -0.385
   80    HD2  LYS   8           HD2      LYS   8  54.111  12.091   1.263
   81    HD3  LYS   8           HD1      LYS   8  55.147  11.594  -0.096
   82    HE2  LYS   8           HE2      LYS   8  54.230  13.405  -1.491
   83    HE3  LYS   8           HE1      LYS   8  53.142  13.892  -0.170
   84    HZ1  LYS   8           HZ1      LYS   8  56.040  14.234  -0.427
   85    HZ2  LYS   8           HZ2      LYS   8  55.422  13.949   1.130
   86    HZ3  LYS   8           HZ3      LYS   8  54.877  15.282   0.226
   87    H    LYS   9           HN       LYS   9  52.317   8.586   2.202
   88    HA   LYS   9           HA       LYS   9  52.759   5.725   2.125
   89    HB2  LYS   9           HB2      LYS   9  53.151   7.270   4.711
   90    HB3  LYS   9           HB1      LYS   9  53.028   5.499   4.585
   91    HG2  LYS   9           HG2      LYS   9  55.043   5.600   3.005
   92    HG3  LYS   9           HG1      LYS   9  55.230   7.300   3.498
   93    HD2  LYS   9           HD2      LYS   9  55.277   6.505   5.907
   94    HD3  LYS   9           HD1      LYS   9  55.345   4.837   5.286
   95    HE2  LYS   9           HE2      LYS   9  57.403   5.436   3.995
   96    HE3  LYS   9           HE1      LYS   9  57.353   7.063   4.716
   97    HZ1  LYS   9           HZ1      LYS   9  58.697   5.041   5.786
   98    HZ2  LYS   9           HZ2      LYS   9  57.205   4.813   6.566
   99    HZ3  LYS   9           HZ3      LYS   9  58.026   6.292   6.714
  100    H    LEU  10           HN       LEU  10  50.834   6.000   1.075
  101    HA   LEU  10           HA       LEU  10  48.455   6.360   1.149
  102    HB2  LEU  10           HB2      LEU  10  48.628   6.370   4.167
  103    HB3  LEU  10           HB1      LEU  10  47.332   5.754   3.138
  104    HG   LEU  10           HG       LEU  10  50.022   4.445   3.677
  105   HD11  LEU  10          HD11      LEU  10  47.181   3.430   4.074
  106   HD12  LEU  10          HD12      LEU  10  48.132   4.222   5.353
  107   HD13  LEU  10          HD13      LEU  10  48.690   2.684   4.653
  108   HD21  LEU  10          HD21      LEU  10  47.851   3.788   1.639
  109   HD22  LEU  10          HD22      LEU  10  49.063   2.603   2.180
  110   HD23  LEU  10          HD23      LEU  10  49.578   4.077   1.329
  111    H    LYS  11           HN       LYS  11  50.095   8.023   0.365
  112    HA   LYS  11           HA       LYS  11  50.370  10.263   1.035
  113    HB2  LYS  11           HB2      LYS  11  48.203  10.036  -0.867
  114    HB3  LYS  11           HB1      LYS  11  49.272  11.423  -0.779
  115    HG2  LYS  11           HG2      LYS  11  51.053  10.194  -1.720
  116    HG3  LYS  11           HG1      LYS  11  50.362   8.629  -1.253
  117    HD2  LYS  11           HD2      LYS  11  48.594   8.921  -2.949
  118    HD3  LYS  11           HD1      LYS  11  49.302  10.495  -3.403
  119    HE2  LYS  11           HE2      LYS  11  50.067   8.742  -4.950
  120    HE3  LYS  11           HE1      LYS  11  51.429   9.353  -3.982
  121    HZ1  LYS  11           HZ1      LYS  11  50.029   7.158  -2.748
  122    HZ2  LYS  11           HZ2      LYS  11  51.695   7.381  -3.002
  123    HZ3  LYS  11           HZ3      LYS  11  50.721   6.745  -4.240
  124    H    ASN  12           HN       ASN  12  50.084   9.851   3.113
  125    HA   ASN  12           HA       ASN  12  49.420  10.993   5.008
  126    HB2  ASN  12           HB2      ASN  12  47.125  12.381   3.680
  127    HB3  ASN  12           HB1      ASN  12  48.007  12.867   5.134
  128   HD21  ASN  12          HD21      ASN  12  50.632  12.052   3.724
  129   HD22  ASN  12          HD22      ASN  12  50.954  13.417   2.649
  130    H    GLU  13           HN       GLU  13  47.207   9.702   2.805
  131    HA   GLU  13           HA       GLU  13  46.642   7.476   4.354
  132    HB2  GLU  13           HB2      GLU  13  44.877   9.500   5.189
  133    HB3  GLU  13           HB1      GLU  13  43.921   8.506   4.074
  134    HG2  GLU  13           HG2      GLU  13  44.669   6.473   5.347
  135    HG3  GLU  13           HG1      GLU  13  45.431   7.562   6.531
  136    H    ILE  14           HN       ILE  14  47.369   8.857   1.478
  137    HA   ILE  14           HA       ILE  14  47.299   7.457  -0.432
  138    HB   ILE  14           HB       ILE  14  44.342   6.971   0.101
  139   HG12  ILE  14          HG12      ILE  14  46.409   4.808  -0.396
  140   HG13  ILE  14          HG11      ILE  14  46.296   5.517   1.206
  141   HG21  ILE  14          HG21      ILE  14  44.796   5.469  -2.077
  142   HG22  ILE  14          HG22      ILE  14  46.075   6.668  -2.355
  143   HG23  ILE  14          HG23      ILE  14  44.382   7.182  -2.240
  144   HD11  ILE  14           HD1      ILE  14  43.870   4.411  -0.222
  145   HD12  ILE  14           HD2      ILE  14  44.035   4.827   1.500
  146   HD13  ILE  14           HD3      ILE  14  44.901   3.424   0.835
  147    H    LYS  15           HN       LYS  15  46.627  10.140   0.931
  148    HA   LYS  15           HA       LYS  15  47.024  11.961  -0.765
  149    HB2  LYS  15           HB2      LYS  15  44.511  10.891  -1.852
  150    HB3  LYS  15           HB1      LYS  15  44.893  12.596  -2.104
  151    HG2  LYS  15           HG2      LYS  15  47.062  10.654  -2.850
  152    HG3  LYS  15           HG1      LYS  15  45.631  10.648  -3.892
  153    HD2  LYS  15           HD2      LYS  15  45.917  13.205  -4.056
  154    HD3  LYS  15           HD1      LYS  15  47.502  12.975  -3.280
  155    HE2  LYS  15           HE2      LYS  15  47.911  11.199  -5.162
  156    HE3  LYS  15           HE1      LYS  15  46.543  11.986  -5.984
  157    HZ1  LYS  15           HZ1      LYS  15  48.788  13.582  -4.908
  158    HZ2  LYS  15           HZ2      LYS  15  47.682  13.980  -6.135
  159    HZ3  LYS  15           HZ3      LYS  15  48.907  12.840  -6.428
  160    H    LYS  16           HN       LYS  16  47.177  13.667   0.207
  161    HA   LYS  16           HA       LYS  16  46.395  15.359   1.669
  162    HB2  LYS  16           HB2      LYS  16  44.829  15.470  -0.308
  163    HB3  LYS  16           HB1      LYS  16  43.805  14.278   0.545
  164    HG2  LYS  16           HG2      LYS  16  42.867  16.510   0.939
  165    HG3  LYS  16           HG1      LYS  16  43.626  15.986   2.453
  166    HD2  LYS  16           HD2      LYS  16  45.496  17.430   2.156
  167    HD3  LYS  16           HD1      LYS  16  45.147  17.672   0.428
  168    HE2  LYS  16           HE2      LYS  16  44.491  19.671   1.662
  169    HE3  LYS  16           HE1      LYS  16  43.022  18.853   1.083
  170    HZ1  LYS  16           HZ1      LYS  16  42.508  19.227   3.271
  171    HZ2  LYS  16           HZ2      LYS  16  44.108  19.044   3.814
  172    HZ3  LYS  16           HZ3      LYS  16  43.190  17.678   3.392
  173    H    LYS  17           HN       LYS  17  45.429  12.281   1.433
  174    HA   LYS  17           HA       LYS  17  45.487  10.869   3.571
  175    HB2  LYS  17           HB2      LYS  17  43.482  12.936   4.494
  176    HB3  LYS  17           HB1      LYS  17  43.426  11.310   5.157
  177    HG2  LYS  17           HG2      LYS  17  45.866  11.557   5.800
  178    HG3  LYS  17           HG1      LYS  17  45.743  13.266   5.368
  179    HD2  LYS  17           HD2      LYS  17  43.894  13.558   6.974
  180    HD3  LYS  17           HD1      LYS  17  44.003  11.835   7.408
  181    HE2  LYS  17           HE2      LYS  17  46.293  12.144   8.223
  182    HE3  LYS  17           HE1      LYS  17  46.283  13.842   7.691
  183    HZ1  LYS  17           HZ1      LYS  17  45.034  14.465   9.435
  184    HZ2  LYS  17           HZ2      LYS  17  45.621  13.042  10.154
  185    HZ3  LYS  17           HZ3      LYS  17  44.086  13.058   9.425
  186    H    TRP  18           HN       TRP  18  44.546  10.583   0.928
  187    HA   TRP  18           HA       TRP  18  43.455   9.269  -0.312
  188    HB2  TRP  18           HB2      TRP  18  42.686   7.684   1.627
  189    HB3  TRP  18           HB1      TRP  18  41.184   8.413   1.197
  190    HD1  TRP  18           HD1      TRP  18  42.080   8.540  -2.050
  191    HE1  TRP  18           HE1      TRP  18  41.627   6.379  -3.399
  192    HE3  TRP  18           HE3      TRP  18  41.603   5.235   1.840
  193    HZ2  TRP  18           HZ2      TRP  18  41.114   3.605  -2.851
  194    HZ3  TRP  18           HZ3      TRP  18  41.121   2.834   1.395
  195    HH2  TRP  18           HH2      TRP  18  40.875   2.016  -0.944
  196    H    ARG  19           HN       ARG  19  43.626  11.704  -0.453
  197    HA   ARG  19           HA       ARG  19  42.662  13.304  -1.780
  198    HB2  ARG  19           HB2      ARG  19  40.348  11.424  -1.788
  199    HB3  ARG  19           HB1      ARG  19  40.421  12.904  -2.759
  200    HG2  ARG  19           HG2      ARG  19  42.543  10.742  -3.055
  201    HG3  ARG  19           HG1      ARG  19  41.000  10.580  -3.902
  202    HD2  ARG  19           HD2      ARG  19  42.613  13.145  -4.112
  203    HD3  ARG  19           HD1      ARG  19  42.962  11.749  -5.158
  204    HE   ARG  19           HE       ARG  19  40.248  12.058  -5.472
  205   HH11  ARG  19          HH11      ARG  19  43.080  13.958  -5.899
  206   HH12  ARG  19          HH12      ARG  19  42.309  15.122  -6.926
  207   HH21  ARG  19          HH21      ARG  19  39.174  13.664  -6.673
  208   HH22  ARG  19          HH22      ARG  19  40.099  14.955  -7.364
  209    H    LYS  20           HN       LYS  20  42.790  12.525   0.860
  210    HA   LYS  20           HA       LYS  20  42.269  13.634   2.629
  211    HB2  LYS  20           HB2      LYS  20  40.906  15.328   1.258
  212    HB3  LYS  20           HB1      LYS  20  39.585  14.470   1.991
  213    HG2  LYS  20           HG2      LYS  20  40.088  15.300   4.174
  214    HG3  LYS  20           HG1      LYS  20  41.792  15.517   3.785
  215    HD2  LYS  20           HD2      LYS  20  41.354  17.489   2.503
  216    HD3  LYS  20           HD1      LYS  20  39.605  17.172   2.477
  217    HE2  LYS  20           HE2      LYS  20  40.280  18.956   4.128
  218    HE3  LYS  20           HE1      LYS  20  39.439  17.578   4.875
  219    HZ1  LYS  20           HZ1      LYS  20  41.877  18.570   5.608
  220    HZ2  LYS  20           HZ2      LYS  20  42.275  17.182   4.713
  221    HZ3  LYS  20           HZ3      LYS  20  41.240  17.064   6.055
  222    H    ALA  21           HN       ALA  21  41.246  11.183   1.166
  223    HA   ALA  21           HA       ALA  21  41.286   9.109   2.987
  224    HB1  ALA  21           HB1      ALA  21  39.431  10.879   4.563
  225    HB2  ALA  21           HB2      ALA  21  41.090  10.442   5.057
  226    HB3  ALA  21           HB3      ALA  21  39.832   9.194   4.948
  227    H    VAL  22           HN       VAL  22  40.155  10.233   0.675
  228    HA   VAL  22           HA       VAL  22  38.350   9.819  -0.598
  229    HB   VAL  22           HB       VAL  22  36.778   8.369   1.565
  230   HG11  VAL  22          HG11      VAL  22  35.927   7.078  -0.318
  231   HG12  VAL  22          HG12      VAL  22  37.131   7.806  -1.404
  232   HG13  VAL  22          HG13      VAL  22  35.841   8.810  -0.699
  233   HG21  VAL  22          HG21      VAL  22  39.310   7.282   0.292
  234   HG22  VAL  22          HG22      VAL  22  37.949   6.168   0.554
  235   HG23  VAL  22          HG23      VAL  22  38.671   7.016   1.931
  236    H    ILE  23           HN       ILE  23  39.618  11.726   1.862
  237    HA   ILE  23           HA       ILE  23  36.536  12.430   2.622
  238    HB   ILE  23           HB       ILE  23  39.022  13.479   3.884
  239   HG12  ILE  23          HG12      ILE  23  36.334  13.076   5.176
  240   HG13  ILE  23          HG11      ILE  23  37.288  11.654   4.732
  241   HG21  ILE  23          HG21      ILE  23  37.731  15.370   4.886
  242   HG22  ILE  23          HG22      ILE  23  36.413  15.006   3.755
  243   HG23  ILE  23          HG23      ILE  23  37.972  15.587   3.142
  244   HD11  ILE  23           HD1      ILE  23  38.056  13.881   6.665
  245   HD12  ILE  23           HD2      ILE  23  39.233  12.693   6.058
  246   HD13  ILE  23           HD3      ILE  23  37.837  12.154   7.016
  247    H    ALA  24           HN       ALA  24  38.663  12.727   0.268
  248    HA   ALA  24           HA       ALA  24  37.015  14.520  -0.912
  249    HB1  ALA  24           HB1      ALA  24  39.658  15.007  -1.835
  250    HB2  ALA  24           HB2      ALA  24  39.187  15.777  -0.302
  251    HB3  ALA  24           HB3      ALA  24  38.324  16.183  -1.804
  252    H    TRP  25           HN       TRP  25  38.808  12.399  -0.817
  253    HA   TRP  25           HA       TRP  25  38.927  10.404  -2.524
  254    HB2  TRP  25           HB2      TRP  25  36.841   9.530  -2.937
  255    HB3  TRP  25           HB1      TRP  25  36.372  10.791  -1.783
  256    HD1  TRP  25           HD1      TRP  25  34.800  12.660  -2.628
  257    HE1  TRP  25           HE1      TRP  25  33.605  13.193  -4.872
  258    HE3  TRP  25           HE3      TRP  25  37.193   9.279  -5.646
  259    HZ2  TRP  25           HZ2      TRP  25  33.692  12.256  -7.591
  260    HZ3  TRP  25           HZ3      TRP  25  36.614   9.117  -8.059
  261    HH2  TRP  25           HH2      TRP  25  34.866  10.598  -9.034
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1  63.980  17.384  -3.520
    2    H2   ALA   1           HT2      ALA   1  65.383  16.698  -4.194
    3    H3   ALA   1           HT3      ALA   1  65.307  17.025  -2.527
    4    HA   ALA   1           HA       ALA   1  64.567  15.031  -2.149
    5    HB1  ALA   1           HB1      ALA   1  62.351  15.845  -4.061
    6    HB2  ALA   1           HB2      ALA   1  62.365  16.065  -2.295
    7    HB3  ALA   1           HB3      ALA   1  62.308  14.426  -2.989
    8    H    TRP   2           HN       TRP   2  63.727  12.886  -3.279
    9    HA   TRP   2           HA       TRP   2  64.527  12.510  -6.040
   10    HB2  TRP   2           HB2      TRP   2  66.771  12.783  -4.903
   11    HB3  TRP   2           HB1      TRP   2  66.397  11.326  -3.951
   12    HD1  TRP   2           HD1      TRP   2  66.499  12.368  -7.691
   13    HE1  TRP   2           HE1      TRP   2  67.364  10.361  -9.100
   14    HE3  TRP   2           HE3      TRP   2  66.999   8.910  -3.949
   15    HZ2  TRP   2           HZ2      TRP   2  68.159   7.633  -8.633
   16    HZ3  TRP   2           HZ3      TRP   2  67.813   6.612  -4.454
   17    HH2  TRP   2           HH2      TRP   2  68.393   5.971  -6.790
   18    H    LYS   3           HN       LYS   3  64.209  10.991  -2.814
   19    HA   LYS   3           HA       LYS   3  63.366   8.431  -3.919
   20    HB2  LYS   3           HB2      LYS   3  62.920   9.507  -1.110
   21    HB3  LYS   3           HB1      LYS   3  62.949   7.803  -1.627
   22    HG2  LYS   3           HG2      LYS   3  65.324   8.047  -2.302
   23    HG3  LYS   3           HG1      LYS   3  65.296   9.747  -1.771
   24    HD2  LYS   3           HD2      LYS   3  64.839   9.076   0.530
   25    HD3  LYS   3           HD1      LYS   3  64.683   7.372   0.040
   26    HE2  LYS   3           HE2      LYS   3  66.907   7.687   0.970
   27    HE3  LYS   3           HE1      LYS   3  67.068   7.467  -0.788
   28    HZ1  LYS   3           HZ1      LYS   3  67.396   9.755  -1.100
   29    HZ2  LYS   3           HZ2      LYS   3  68.349   9.369   0.252
   30    HZ3  LYS   3           HZ3      LYS   3  66.855  10.151   0.458
   31    H    GLU   4           HN       GLU   4  61.843  11.457  -3.484
   32    HA   GLU   4           HA       GLU   4  59.627  12.126  -3.638
   33    HB2  GLU   4           HB2      GLU   4  59.283   9.430  -5.011
   34    HB3  GLU   4           HB1      GLU   4  58.171  10.816  -5.117
   35    HG2  GLU   4           HG2      GLU   4  61.105  10.939  -5.934
   36    HG3  GLU   4           HG1      GLU   4  59.778  10.607  -7.072
   37    H    LYS   5           HN       LYS   5  60.570  10.393  -1.338
   38    HA   LYS   5           HA       LYS   5  59.647   9.378   0.531
   39    HB2  LYS   5           HB2      LYS   5  57.094  10.748  -0.401
   40    HB3  LYS   5           HB1      LYS   5  57.460  10.194   1.248
   41    HG2  LYS   5           HG2      LYS   5  59.192  12.243  -0.203
   42    HG3  LYS   5           HG1      LYS   5  57.783  12.711   0.772
   43    HD2  LYS   5           HD2      LYS   5  58.834  11.391   2.706
   44    HD3  LYS   5           HD1      LYS   5  60.307  11.283   1.711
   45    HE2  LYS   5           HE2      LYS   5  60.305  13.788   1.525
   46    HE3  LYS   5           HE1      LYS   5  58.927  13.832   2.649
   47    HZ1  LYS   5           HZ1      LYS   5  61.713  13.429   3.192
   48    HZ2  LYS   5           HZ2      LYS   5  60.747  12.211   3.880
   49    HZ3  LYS   5           HZ3      LYS   5  60.455  13.843   4.250
   50    H    ILE   6           HN       ILE   6  59.536   8.023  -2.135
   51    HA   ILE   6           HA       ILE   6  58.521   6.174  -3.111
   52    HB   ILE   6           HB       ILE   6  57.671   5.442  -0.274
   53   HG12  ILE   6          HG12      ILE   6  59.976   6.148  -0.106
   54   HG13  ILE   6          HG11      ILE   6  59.970   4.373  -0.094
   55   HG21  ILE   6          HG21      ILE   6  58.452   3.100  -1.312
   56   HG22  ILE   6          HG22      ILE   6  58.130   3.914  -2.857
   57   HG23  ILE   6          HG23      ILE   6  56.836   3.745  -1.655
   58   HD11  ILE   6           HD1      ILE   6  61.719   4.962  -1.597
   59   HD12  ILE   6           HD2      ILE   6  60.753   6.250  -2.354
   60   HD13  ILE   6           HD3      ILE   6  60.358   4.542  -2.658
   61    H    ARG   7           HN       ARG   7  57.016   8.554  -2.982
   62    HA   ARG   7           HA       ARG   7  54.887   9.276  -3.487
   63    HB2  ARG   7           HB2      ARG   7  53.905   6.404  -3.348
   64    HB3  ARG   7           HB1      ARG   7  53.211   7.769  -4.247
   65    HG2  ARG   7           HG2      ARG   7  55.430   7.865  -5.547
   66    HG3  ARG   7           HG1      ARG   7  55.808   6.287  -4.817
   67    HD2  ARG   7           HD2      ARG   7  54.765   5.989  -7.036
   68    HD3  ARG   7           HD1      ARG   7  53.705   5.354  -5.754
   69    HE   ARG   7           HE       ARG   7  52.962   8.056  -6.203
   70   HH11  ARG   7          HH11      ARG   7  53.370   5.267  -8.162
   71   HH12  ARG   7          HH12      ARG   7  51.898   5.499  -9.044
   72   HH21  ARG   7          HH21      ARG   7  50.919   8.268  -7.201
   73   HH22  ARG   7          HH22      ARG   7  50.510   7.198  -8.500
   74    H    LYS   8           HN       LYS   8  55.644   9.621  -0.930
   75    HA   LYS   8           HA       LYS   8  54.700   9.904   1.191
   76    HB2  LYS   8           HB2      LYS   8  52.117   9.429  -0.070
   77    HB3  LYS   8           HB1      LYS   8  52.454  10.334   1.415
   78    HG2  LYS   8           HG2      LYS   8  54.076  11.747  -0.184
   79    HG3  LYS   8           HG1      LYS   8  53.006  11.137  -1.462
   80    HD2  LYS   8           HD2      LYS   8  51.062  12.127  -0.341
   81    HD3  LYS   8           HD1      LYS   8  52.069  12.625   1.033
   82    HE2  LYS   8           HE2      LYS   8  52.392  13.571  -1.847
   83    HE3  LYS   8           HE1      LYS   8  51.692  14.517  -0.513
   84    HZ1  LYS   8           HZ1      LYS   8  53.811  15.214  -0.309
   85    HZ2  LYS   8           HZ2      LYS   8  54.472  13.845  -1.069
   86    HZ3  LYS   8           HZ3      LYS   8  54.009  13.775   0.565
   87    H    LYS   9           HN       LYS   9  52.336   8.765   2.239
   88    HA   LYS   9           HA       LYS   9  52.859   5.912   2.238
   89    HB2  LYS   9           HB2      LYS   9  53.435   7.643   4.663
   90    HB3  LYS   9           HB1      LYS   9  53.084   5.904   4.783
   91    HG2  LYS   9           HG2      LYS   9  55.011   5.491   3.178
   92    HG3  LYS   9           HG1      LYS   9  55.405   7.219   3.309
   93    HD2  LYS   9           HD2      LYS   9  56.806   6.336   4.968
   94    HD3  LYS   9           HD1      LYS   9  55.367   6.728   5.934
   95    HE2  LYS   9           HE2      LYS   9  56.199   4.456   6.456
   96    HE3  LYS   9           HE1      LYS   9  54.589   4.370   5.707
   97    HZ1  LYS   9           HZ1      LYS   9  55.438   3.138   4.092
   98    HZ2  LYS   9           HZ2      LYS   9  56.966   3.186   4.834
   99    HZ3  LYS   9           HZ3      LYS   9  56.541   4.361   3.683
  100    H    LEU  10           HN       LEU  10  50.901   6.011   1.280
  101    HA   LEU  10           HA       LEU  10  48.519   6.285   1.418
  102    HB2  LEU  10           HB2      LEU  10  48.767   6.587   4.413
  103    HB3  LEU  10           HB1      LEU  10  47.484   5.809   3.482
  104    HG   LEU  10           HG       LEU  10  50.244   4.686   4.089
  105   HD11  LEU  10          HD11      LEU  10  48.404   4.537   5.817
  106   HD12  LEU  10          HD12      LEU  10  49.011   2.963   5.247
  107   HD13  LEU  10          HD13      LEU  10  47.460   3.594   4.641
  108   HD21  LEU  10          HD21      LEU  10  48.079   3.727   2.169
  109   HD22  LEU  10          HD22      LEU  10  49.363   2.667   2.795
  110   HD23  LEU  10          HD23      LEU  10  49.782   4.075   1.794
  111    H    LYS  11           HN       LYS  11  50.113   7.995   0.450
  112    HA   LYS  11           HA       LYS  11  50.281  10.284   0.956
  113    HB2  LYS  11           HB2      LYS  11  48.089   9.781  -0.872
  114    HB3  LYS  11           HB1      LYS  11  48.983  11.285  -0.859
  115    HG2  LYS  11           HG2      LYS  11  50.896  10.239  -1.755
  116    HG3  LYS  11           HG1      LYS  11  50.369   8.617  -1.247
  117    HD2  LYS  11           HD2      LYS  11  48.551   8.712  -2.935
  118    HD3  LYS  11           HD1      LYS  11  49.131  10.317  -3.446
  119    HE2  LYS  11           HE2      LYS  11  50.080   8.704  -4.969
  120    HE3  LYS  11           HE1      LYS  11  51.390   9.255  -3.898
  121    HZ1  LYS  11           HZ1      LYS  11  51.512   6.908  -4.001
  122    HZ2  LYS  11           HZ2      LYS  11  49.846   6.720  -3.728
  123    HZ3  LYS  11           HZ3      LYS  11  50.857   7.275  -2.481
  124    H    ASN  12           HN       ASN  12  50.060   9.990   3.067
  125    HA   ASN  12           HA       ASN  12  49.375  11.190   4.896
  126    HB2  ASN  12           HB2      ASN  12  48.540  13.013   3.156
  127    HB3  ASN  12           HB1      ASN  12  46.967  12.472   3.723
  128   HD21  ASN  12          HD21      ASN  12  48.129  15.136   4.211
  129   HD22  ASN  12          HD22      ASN  12  48.309  15.278   5.963
  130    H    GLU  13           HN       GLU  13  47.158   9.704   2.826
  131    HA   GLU  13           HA       GLU  13  46.697   7.578   4.552
  132    HB2  GLU  13           HB2      GLU  13  44.774   9.594   5.157
  133    HB3  GLU  13           HB1      GLU  13  43.927   8.359   4.205
  134    HG2  GLU  13           HG2      GLU  13  45.613   7.823   6.677
  135    HG3  GLU  13           HG1      GLU  13  43.834   7.876   6.625
  136    H    ILE  14           HN       ILE  14  47.369   8.767   1.589
  137    HA   ILE  14           HA       ILE  14  47.403   7.280  -0.227
  138    HB   ILE  14           HB       ILE  14  44.535   6.468   0.406
  139   HG12  ILE  14          HG12      ILE  14  47.102   4.860   0.059
  140   HG13  ILE  14          HG11      ILE  14  46.406   5.303   1.616
  141   HG21  ILE  14          HG21      ILE  14  46.194   6.271  -2.112
  142   HG22  ILE  14          HG22      ILE  14  44.465   6.646  -1.942
  143   HG23  ILE  14          HG23      ILE  14  45.028   4.985  -1.740
  144   HD11  ILE  14           HD1      ILE  14  45.504   3.209  -0.323
  145   HD12  ILE  14           HD2      ILE  14  44.228   4.105   0.527
  146   HD13  ILE  14           HD3      ILE  14  45.445   3.209   1.452
  147    H    LYS  15           HN       LYS  15  46.526   9.956   0.956
  148    HA   LYS  15           HA       LYS  15  46.770  11.626  -0.933
  149    HB2  LYS  15           HB2      LYS  15  44.281  10.336  -1.805
  150    HB3  LYS  15           HB1      LYS  15  44.523  12.050  -2.166
  151    HG2  LYS  15           HG2      LYS  15  46.852  10.336  -2.922
  152    HG3  LYS  15           HG1      LYS  15  45.370   9.968  -3.824
  153    HD2  LYS  15           HD2      LYS  15  45.155  12.296  -4.529
  154    HD3  LYS  15           HD1      LYS  15  46.535  12.773  -3.513
  155    HE2  LYS  15           HE2      LYS  15  46.863  12.282  -6.129
  156    HE3  LYS  15           HE1      LYS  15  48.106  11.804  -4.952
  157    HZ1  LYS  15           HZ1      LYS  15  47.650   9.957  -6.365
  158    HZ2  LYS  15           HZ2      LYS  15  45.974  10.085  -6.116
  159    HZ3  LYS  15           HZ3      LYS  15  46.990   9.602  -4.843
  160    H    LYS  16           HN       LYS  16  46.960  13.332  -0.125
  161    HA   LYS  16           HA       LYS  16  46.326  15.137   1.251
  162    HB2  LYS  16           HB2      LYS  16  44.716  15.205  -0.651
  163    HB3  LYS  16           HB1      LYS  16  43.711  14.043   0.254
  164    HG2  LYS  16           HG2      LYS  16  42.833  16.376   0.474
  165    HG3  LYS  16           HG1      LYS  16  43.371  15.751   2.037
  166    HD2  LYS  16           HD2      LYS  16  44.028  18.134   1.605
  167    HD3  LYS  16           HD1      LYS  16  45.416  17.084   1.918
  168    HE2  LYS  16           HE2      LYS  16  44.512  17.531  -0.945
  169    HE3  LYS  16           HE1      LYS  16  45.463  18.787  -0.121
  170    HZ1  LYS  16           HZ1      LYS  16  46.255  16.092  -0.938
  171    HZ2  LYS  16           HZ2      LYS  16  46.909  16.684   0.514
  172    HZ3  LYS  16           HZ3      LYS  16  47.142  17.536  -0.934
  173    H    LYS  17           HN       LYS  17  45.295  12.105   1.322
  174    HA   LYS  17           HA       LYS  17  45.434  10.925   3.600
  175    HB2  LYS  17           HB2      LYS  17  43.405  13.024   4.358
  176    HB3  LYS  17           HB1      LYS  17  43.322  11.449   5.132
  177    HG2  LYS  17           HG2      LYS  17  45.840  11.785   5.700
  178    HG3  LYS  17           HG1      LYS  17  45.561  13.488   5.299
  179    HD2  LYS  17           HD2      LYS  17  43.704  13.568   6.943
  180    HD3  LYS  17           HD1      LYS  17  44.029  11.870   7.369
  181    HE2  LYS  17           HE2      LYS  17  46.322  12.473   8.067
  182    HE3  LYS  17           HE1      LYS  17  46.018  14.170   7.625
  183    HZ1  LYS  17           HZ1      LYS  17  43.931  13.332   9.281
  184    HZ2  LYS  17           HZ2      LYS  17  45.145  14.470   9.622
  185    HZ3  LYS  17           HZ3      LYS  17  45.373  12.834  10.020
  186    H    TRP  18           HN       TRP  18  44.490  10.380   0.998
  187    HA   TRP  18           HA       TRP  18  43.470   8.786   0.003
  188    HB2  TRP  18           HB2      TRP  18  42.698   7.595   2.240
  189    HB3  TRP  18           HB1      TRP  18  41.183   8.138   1.578
  190    HD1  TRP  18           HD1      TRP  18  42.145   7.626  -1.548
  191    HE1  TRP  18           HE1      TRP  18  41.894   5.203  -2.426
  192    HE3  TRP  18           HE3      TRP  18  41.910   5.166   2.936
  193    HZ2  TRP  18           HZ2      TRP  18  41.620   2.565  -1.314
  194    HZ3  TRP  18           HZ3      TRP  18  41.645   2.691   2.999
  195    HH2  TRP  18           HH2      TRP  18  41.500   1.389   0.881
  196    H    ARG  19           HN       ARG  19  43.412  11.373  -0.385
  197    HA   ARG  19           HA       ARG  19  42.235  12.707  -1.819
  198    HB2  ARG  19           HB2      ARG  19  40.212  10.431  -1.990
  199    HB3  ARG  19           HB1      ARG  19  40.311  11.847  -3.045
  200    HG2  ARG  19           HG2      ARG  19  42.597  11.075  -3.765
  201    HG3  ARG  19           HG1      ARG  19  42.311   9.574  -2.854
  202    HD2  ARG  19           HD2      ARG  19  40.456   8.964  -4.256
  203    HD3  ARG  19           HD1      ARG  19  40.414  10.573  -5.017
  204    HE   ARG  19           HE       ARG  19  42.122   8.386  -5.815
  205   HH11  ARG  19          HH11      ARG  19  44.495   9.394  -5.763
  206   HH12  ARG  19          HH12      ARG  19  44.594  10.794  -6.779
  207   HH21  ARG  19          HH21      ARG  19  41.160  11.235  -6.960
  208   HH22  ARG  19          HH22      ARG  19  42.707  11.837  -7.456
  209    H    LYS  20           HN       LYS  20  42.681  12.906   0.285
  210    HA   LYS  20           HA       LYS  20  42.452  13.373   2.300
  211    HB2  LYS  20           HB2      LYS  20  41.061  15.275   1.424
  212    HB3  LYS  20           HB1      LYS  20  39.801  14.370   2.180
  213    HG2  LYS  20           HG2      LYS  20  40.503  14.816   4.361
  214    HG3  LYS  20           HG1      LYS  20  42.191  15.009   3.869
  215    HD2  LYS  20           HD2      LYS  20  41.686  17.185   2.859
  216    HD3  LYS  20           HD1      LYS  20  39.952  16.965   3.191
  217    HE2  LYS  20           HE2      LYS  20  42.149  17.092   5.304
  218    HE3  LYS  20           HE1      LYS  20  41.033  18.417   4.896
  219    HZ1  LYS  20           HZ1      LYS  20  39.249  16.589   5.344
  220    HZ2  LYS  20           HZ2      LYS  20  39.954  17.429   6.641
  221    HZ3  LYS  20           HZ3      LYS  20  40.482  15.863   6.253
  222    H    ALA  21           HN       ALA  21  41.211  11.059   1.221
  223    HA   ALA  21           HA       ALA  21  41.125   9.121   3.214
  224    HB1  ALA  21           HB1      ALA  21  39.440   9.428   4.989
  225    HB2  ALA  21           HB2      ALA  21  39.235  11.102   4.426
  226    HB3  ALA  21           HB3      ALA  21  40.789  10.578   5.140
  227    H    VAL  22           HN       VAL  22  40.218  10.072   0.734
  228    HA   VAL  22           HA       VAL  22  38.562   9.607  -0.688
  229    HB   VAL  22           HB       VAL  22  38.017   7.515   1.283
  230   HG11  VAL  22          HG11      VAL  22  35.618   7.410   1.406
  231   HG12  VAL  22          HG12      VAL  22  35.429   8.828   0.356
  232   HG13  VAL  22          HG13      VAL  22  36.076   9.017   2.005
  233   HG21  VAL  22          HG21      VAL  22  36.877   8.025  -1.491
  234   HG22  VAL  22          HG22      VAL  22  36.740   6.492  -0.597
  235   HG23  VAL  22          HG23      VAL  22  38.340   7.094  -1.092
  236    H    ILE  23           HN       ILE  23  39.655  11.649   1.678
  237    HA   ILE  23           HA       ILE  23  36.620  12.695   1.870
  238    HB   ILE  23           HB       ILE  23  38.836  13.313   3.767
  239   HG12  ILE  23          HG12      ILE  23  35.876  12.902   4.268
  240   HG13  ILE  23          HG11      ILE  23  36.981  11.528   4.077
  241   HG21  ILE  23          HG21      ILE  23  37.503  15.207   4.664
  242   HG22  ILE  23          HG22      ILE  23  36.369  15.033   3.309
  243   HG23  ILE  23          HG23      ILE  23  38.038  15.555   3.009
  244   HD11  ILE  23           HD1      ILE  23  36.941  11.852   6.416
  245   HD12  ILE  23           HD2      ILE  23  36.909  13.622   6.274
  246   HD13  ILE  23           HD3      ILE  23  38.411  12.729   5.942
  247    H    ALA  24           HN       ALA  24  39.628  13.386   0.661
  248    HA   ALA  24           HA       ALA  24  38.595  15.603  -0.637
  249    HB1  ALA  24           HB1      ALA  24  40.784  16.324  -0.631
  250    HB2  ALA  24           HB2      ALA  24  40.705  15.509  -2.204
  251    HB3  ALA  24           HB3      ALA  24  41.316  14.651  -0.799
  252    H    TRP  25           HN       TRP  25  39.044  12.872  -0.606
  253    HA   TRP  25           HA       TRP  25  38.243  11.058  -2.219
  254    HB2  TRP  25           HB2      TRP  25  36.029  10.956  -1.715
  255    HB3  TRP  25           HB1      TRP  25  36.225  12.577  -1.025
  256    HD1  TRP  25           HD1      TRP  25  34.864  10.732  -4.058
  257    HE1  TRP  25           HE1      TRP  25  33.407  12.338  -5.492
  258    HE3  TRP  25           HE3      TRP  25  35.928  15.137  -1.671
  259    HZ2  TRP  25           HZ2      TRP  25  32.805  15.153  -5.566
  260    HZ3  TRP  25           HZ3      TRP  25  34.900  17.270  -2.442
  261    HH2  TRP  25           HH2      TRP  25  33.340  17.281  -4.384
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1  63.519  14.507   1.379
    2    H2   ALA   1           HT2      ALA   1  62.337  13.734   0.434
    3    H3   ALA   1           HT3      ALA   1  63.898  13.986  -0.188
    4    HA   ALA   1           HA       ALA   1  64.497  12.641   1.994
    5    HB1  ALA   1           HB1      ALA   1  62.041  12.398   2.465
    6    HB2  ALA   1           HB2      ALA   1  62.911  10.853   2.307
    7    HB3  ALA   1           HB3      ALA   1  61.901  11.449   0.967
    8    H    TRP   2           HN       TRP   2  64.508  13.267  -1.104
    9    HA   TRP   2           HA       TRP   2  65.666  12.334  -2.878
   10    HB2  TRP   2           HB2      TRP   2  66.276   9.819  -1.300
   11    HB3  TRP   2           HB1      TRP   2  67.262  10.651  -2.523
   12    HD1  TRP   2           HD1      TRP   2  67.441  13.517  -1.503
   13    HE1  TRP   2           HE1      TRP   2  68.617  14.147   0.728
   14    HE3  TRP   2           HE3      TRP   2  67.193   8.977   0.851
   15    HZ2  TRP   2           HZ2      TRP   2  69.338  12.831   3.187
   16    HZ3  TRP   2           HZ3      TRP   2  68.131   8.688   3.140
   17    HH2  TRP   2           HH2      TRP   2  69.203  10.610   4.309
   18    H    LYS   3           HN       LYS   3  64.389   9.413  -1.217
   19    HA   LYS   3           HA       LYS   3  63.359   8.334  -3.699
   20    HB2  LYS   3           HB2      LYS   3  62.731   7.592  -0.816
   21    HB3  LYS   3           HB1      LYS   3  62.347   6.614  -2.252
   22    HG2  LYS   3           HG2      LYS   3  64.683   6.303  -2.777
   23    HG3  LYS   3           HG1      LYS   3  65.179   7.514  -1.577
   24    HD2  LYS   3           HD2      LYS   3  65.607   5.445  -0.501
   25    HD3  LYS   3           HD1      LYS   3  64.051   5.956   0.185
   26    HE2  LYS   3           HE2      LYS   3  64.034   3.554  -0.464
   27    HE3  LYS   3           HE1      LYS   3  62.852   4.490  -1.404
   28    HZ1  LYS   3           HZ1      LYS   3  64.802   2.881  -2.425
   29    HZ2  LYS   3           HZ2      LYS   3  65.454   4.438  -2.617
   30    HZ3  LYS   3           HZ3      LYS   3  63.939   4.060  -3.286
   31    H    GLU   4           HN       GLU   4  62.371  11.020  -2.232
   32    HA   GLU   4           HA       GLU   4  60.362  12.175  -2.127
   33    HB2  GLU   4           HB2      GLU   4  59.532  10.173  -4.266
   34    HB3  GLU   4           HB1      GLU   4  58.736  11.726  -3.917
   35    HG2  GLU   4           HG2      GLU   4  60.737  12.960  -4.544
   36    HG3  GLU   4           HG1      GLU   4  61.667  11.451  -4.714
   37    H    LYS   5           HN       LYS   5  60.709  10.145  -0.191
   38    HA   LYS   5           HA       LYS   5  59.503   8.907   1.354
   39    HB2  LYS   5           HB2      LYS   5  57.225  10.624   0.295
   40    HB3  LYS   5           HB1      LYS   5  57.222   9.722   1.831
   41    HG2  LYS   5           HG2      LYS   5  59.103  11.046   2.666
   42    HG3  LYS   5           HG1      LYS   5  59.249  11.882   1.103
   43    HD2  LYS   5           HD2      LYS   5  57.094  12.942   1.379
   44    HD3  LYS   5           HD1      LYS   5  56.728  11.947   2.810
   45    HE2  LYS   5           HE2      LYS   5  59.097  13.856   2.666
   46    HE3  LYS   5           HE1      LYS   5  57.509  14.315   3.325
   47    HZ1  LYS   5           HZ1      LYS   5  59.368  13.355   4.867
   48    HZ2  LYS   5           HZ2      LYS   5  58.799  11.858   4.301
   49    HZ3  LYS   5           HZ3      LYS   5  57.746  12.921   5.105
   50    H    ILE   6           HN       ILE   6  59.634   8.023  -1.557
   51    HA   ILE   6           HA       ILE   6  58.661   6.395  -2.905
   52    HB   ILE   6           HB       ILE   6  57.453   5.190  -0.379
   53   HG12  ILE   6          HG12      ILE   6  60.383   5.190  -1.239
   54   HG13  ILE   6          HG11      ILE   6  59.715   5.920   0.239
   55   HG21  ILE   6          HG21      ILE   6  57.810   3.108  -1.492
   56   HG22  ILE   6          HG22      ILE   6  58.931   3.833  -2.670
   57   HG23  ILE   6          HG23      ILE   6  57.191   4.193  -2.757
   58   HD11  ILE   6           HD1      ILE   6  58.828   3.542   0.792
   59   HD12  ILE   6           HD2      ILE   6  60.577   3.823   0.954
   60   HD13  ILE   6           HD3      ILE   6  59.942   2.977  -0.475
   61    H    ARG   7           HN       ARG   7  57.221   8.789  -2.563
   62    HA   ARG   7           HA       ARG   7  55.160   9.666  -3.125
   63    HB2  ARG   7           HB2      ARG   7  54.076   6.842  -3.458
   64    HB3  ARG   7           HB1      ARG   7  53.477   8.346  -4.184
   65    HG2  ARG   7           HG2      ARG   7  56.136   6.973  -4.791
   66    HG3  ARG   7           HG1      ARG   7  54.732   7.100  -5.872
   67    HD2  ARG   7           HD2      ARG   7  54.996   9.678  -5.588
   68    HD3  ARG   7           HD1      ARG   7  56.616   9.295  -4.953
   69    HE   ARG   7           HE       ARG   7  57.272   8.853  -7.169
   70   HH11  ARG   7          HH11      ARG   7  56.899   7.966  -9.245
   71   HH12  ARG   7          HH12      ARG   7  55.278   7.932  -9.855
   72   HH21  ARG   7          HH21      ARG   7  53.858   9.068  -6.903
   73   HH22  ARG   7          HH22      ARG   7  53.558   8.555  -8.531
   74    H    LYS   8           HN       LYS   8  55.744   9.617  -0.510
   75    HA   LYS   8           HA       LYS   8  54.656   9.675   1.560
   76    HB2  LYS   8           HB2      LYS   8  52.108   9.276   0.183
   77    HB3  LYS   8           HB1      LYS   8  52.429  10.136   1.700
   78    HG2  LYS   8           HG2      LYS   8  53.306  11.009  -1.093
   79    HG3  LYS   8           HG1      LYS   8  52.082  11.794  -0.065
   80    HD2  LYS   8           HD2      LYS   8  53.975  12.055   1.686
   81    HD3  LYS   8           HD1      LYS   8  55.089  11.651   0.358
   82    HE2  LYS   8           HE2      LYS   8  53.189  14.015   0.555
   83    HE3  LYS   8           HE1      LYS   8  54.959  14.038   0.371
   84    HZ1  LYS   8           HZ1      LYS   8  54.483  14.263  -1.792
   85    HZ2  LYS   8           HZ2      LYS   8  52.893  13.687  -1.627
   86    HZ3  LYS   8           HZ3      LYS   8  54.187  12.594  -1.763
   87    H    LYS   9           HN       LYS   9  52.223   8.430   2.276
   88    HA   LYS   9           HA       LYS   9  52.676   5.605   1.936
   89    HB2  LYS   9           HB2      LYS   9  52.678   5.376   4.577
   90    HB3  LYS   9           HB1      LYS   9  54.222   5.625   3.727
   91    HG2  LYS   9           HG2      LYS   9  54.203   7.989   4.197
   92    HG3  LYS   9           HG1      LYS   9  52.532   7.917   4.805
   93    HD2  LYS   9           HD2      LYS   9  53.295   6.392   6.635
   94    HD3  LYS   9           HD1      LYS   9  54.969   6.579   6.058
   95    HE2  LYS   9           HE2      LYS   9  53.203   8.928   6.857
   96    HE3  LYS   9           HE1      LYS   9  54.324   8.120   7.977
   97    HZ1  LYS   9           HZ1      LYS   9  55.202   9.177   5.347
   98    HZ2  LYS   9           HZ2      LYS   9  56.159   8.741   6.682
   99    HZ3  LYS   9           HZ3      LYS   9  55.192  10.137   6.745
  100    H    LEU  10           HN       LEU  10  50.784   5.843   0.909
  101    HA   LEU  10           HA       LEU  10  48.402   6.187   0.933
  102    HB2  LEU  10           HB2      LEU  10  48.474   6.057   3.951
  103    HB3  LEU  10           HB1      LEU  10  47.219   5.487   2.841
  104    HG   LEU  10           HG       LEU  10  49.937   4.158   3.178
  105   HD11  LEU  10          HD11      LEU  10  48.648   3.848   5.203
  106   HD12  LEU  10          HD12      LEU  10  48.530   2.349   4.251
  107   HD13  LEU  10          HD13      LEU  10  47.173   3.501   4.270
  108   HD21  LEU  10          HD21      LEU  10  47.398   3.357   1.694
  109   HD22  LEU  10          HD22      LEU  10  48.846   2.340   1.876
  110   HD23  LEU  10          HD23      LEU  10  48.934   3.853   0.943
  111    H    LYS  11           HN       LYS  11  50.107   7.939   0.322
  112    HA   LYS  11           HA       LYS  11  50.298  10.139   1.163
  113    HB2  LYS  11           HB2      LYS  11  48.241   9.996  -0.851
  114    HB3  LYS  11           HB1      LYS  11  49.256  11.405  -0.612
  115    HG2  LYS  11           HG2      LYS  11  51.109  10.297  -1.568
  116    HG3  LYS  11           HG1      LYS  11  50.435   8.683  -1.259
  117    HD2  LYS  11           HD2      LYS  11  48.711   9.094  -2.988
  118    HD3  LYS  11           HD1      LYS  11  49.404  10.707  -3.287
  119    HE2  LYS  11           HE2      LYS  11  51.486   9.759  -4.057
  120    HE3  LYS  11           HE1      LYS  11  51.002   8.128  -3.530
  121    HZ1  LYS  11           HZ1      LYS  11  50.652   9.125  -6.016
  122    HZ2  LYS  11           HZ2      LYS  11  49.126   9.398  -5.322
  123    HZ3  LYS  11           HZ3      LYS  11  49.777   7.829  -5.360
  124    H    ASN  12           HN       ASN  12  49.917   9.610   3.166
  125    HA   ASN  12           HA       ASN  12  49.144  10.502   5.098
  126    HB2  ASN  12           HB2      ASN  12  47.453  12.346   3.453
  127    HB3  ASN  12           HB1      ASN  12  47.132  12.160   5.184
  128   HD21  ASN  12          HD21      ASN  12  48.223  13.633   6.463
  129   HD22  ASN  12          HD22      ASN  12  49.772  14.366   6.035
  130    H    GLU  13           HN       GLU  13  47.045   9.424   2.723
  131    HA   GLU  13           HA       GLU  13  46.428   7.109   4.125
  132    HB2  GLU  13           HB2      GLU  13  44.779   8.762   5.262
  133    HB3  GLU  13           HB1      GLU  13  43.850   8.600   3.772
  134    HG2  GLU  13           HG2      GLU  13  42.980   6.937   5.238
  135    HG3  GLU  13           HG1      GLU  13  44.022   6.066   4.092
  136    H    ILE  14           HN       ILE  14  47.304   8.661   1.370
  137    HA   ILE  14           HA       ILE  14  47.296   7.309  -0.619
  138    HB   ILE  14           HB       ILE  14  44.343   6.901  -0.118
  139   HG12  ILE  14          HG12      ILE  14  46.178   5.284   0.815
  140   HG13  ILE  14          HG11      ILE  14  44.771   4.588   0.002
  141   HG21  ILE  14          HG21      ILE  14  44.451   5.659  -2.400
  142   HG22  ILE  14          HG22      ILE  14  45.871   6.688  -2.696
  143   HG23  ILE  14          HG23      ILE  14  44.280   7.422  -2.395
  144   HD11  ILE  14           HD1      ILE  14  47.172   3.721  -0.629
  145   HD12  ILE  14           HD2      ILE  14  47.294   5.213  -1.578
  146   HD13  ILE  14           HD3      ILE  14  46.015   4.035  -1.936
  147    H    LYS  15           HN       LYS  15  46.486  10.014   0.869
  148    HA   LYS  15           HA       LYS  15  47.031  11.813  -0.953
  149    HB2  LYS  15           HB2      LYS  15  44.493  10.722  -1.897
  150    HB3  LYS  15           HB1      LYS  15  44.754  12.450  -2.127
  151    HG2  LYS  15           HG2      LYS  15  47.062  10.788  -3.065
  152    HG3  LYS  15           HG1      LYS  15  45.560  10.526  -3.976
  153    HD2  LYS  15           HD2      LYS  15  45.380  12.927  -4.440
  154    HD3  LYS  15           HD1      LYS  15  46.808  13.257  -3.430
  155    HE2  LYS  15           HE2      LYS  15  47.375  13.194  -5.858
  156    HE3  LYS  15           HE1      LYS  15  48.217  11.923  -4.942
  157    HZ1  LYS  15           HZ1      LYS  15  47.042  10.305  -5.945
  158    HZ2  LYS  15           HZ2      LYS  15  46.820  11.467  -7.164
  159    HZ3  LYS  15           HZ3      LYS  15  45.606  11.205  -6.005
  160    H    LYS  16           HN       LYS  16  47.275  13.586  -0.114
  161    HA   LYS  16           HA       LYS  16  46.612  15.384   1.296
  162    HB2  LYS  16           HB2      LYS  16  44.956  15.373  -0.617
  163    HB3  LYS  16           HB1      LYS  16  43.949  14.284   0.373
  164    HG2  LYS  16           HG2      LYS  16  42.987  16.420   0.817
  165    HG3  LYS  16           HG1      LYS  16  44.112  16.255   2.170
  166    HD2  LYS  16           HD2      LYS  16  44.653  18.410   1.430
  167    HD3  LYS  16           HD1      LYS  16  45.822  17.452   0.498
  168    HE2  LYS  16           HE2      LYS  16  44.856  18.890  -1.119
  169    HE3  LYS  16           HE1      LYS  16  43.960  17.370  -1.341
  170    HZ1  LYS  16           HZ1      LYS  16  42.762  18.979   0.676
  171    HZ2  LYS  16           HZ2      LYS  16  42.084  18.368  -0.757
  172    HZ3  LYS  16           HZ3      LYS  16  42.906  19.855  -0.769
  173    H    LYS  17           HN       LYS  17  45.584  12.319   1.309
  174    HA   LYS  17           HA       LYS  17  45.662  11.010   3.519
  175    HB2  LYS  17           HB2      LYS  17  45.097  13.144   4.891
  176    HB3  LYS  17           HB1      LYS  17  43.414  12.810   4.454
  177    HG2  LYS  17           HG2      LYS  17  43.552  10.644   5.594
  178    HG3  LYS  17           HG1      LYS  17  45.288  10.890   5.896
  179    HD2  LYS  17           HD2      LYS  17  44.757  12.900   7.244
  180    HD3  LYS  17           HD1      LYS  17  43.021  12.621   6.964
  181    HE2  LYS  17           HE2      LYS  17  43.829  11.719   9.169
  182    HE3  LYS  17           HE1      LYS  17  43.128  10.471   8.113
  183    HZ1  LYS  17           HZ1      LYS  17  45.250   9.798   9.139
  184    HZ2  LYS  17           HZ2      LYS  17  46.038  11.070   8.333
  185    HZ3  LYS  17           HZ3      LYS  17  45.324   9.809   7.444
  186    H    TRP  18           HN       TRP  18  44.601  10.584   0.915
  187    HA   TRP  18           HA       TRP  18  43.395   9.329  -0.194
  188    HB2  TRP  18           HB2      TRP  18  42.657   7.885   1.912
  189    HB3  TRP  18           HB1      TRP  18  41.138   8.537   1.366
  190    HD1  TRP  18           HD1      TRP  18  41.862   8.477  -1.798
  191    HE1  TRP  18           HE1      TRP  18  41.679   6.192  -3.015
  192    HE3  TRP  18           HE3      TRP  18  42.135   5.370   2.264
  193    HZ2  TRP  18           HZ2      TRP  18  41.653   3.407  -2.299
  194    HZ3  TRP  18           HZ3      TRP  18  42.025   2.900   1.971
  195    HH2  TRP  18           HH2      TRP  18  41.785   1.916  -0.305
  196    H    ARG  19           HN       ARG  19  43.642  11.703  -0.586
  197    HA   ARG  19           HA       ARG  19  42.588  13.268  -1.897
  198    HB2  ARG  19           HB2      ARG  19  40.378  11.262  -1.809
  199    HB3  ARG  19           HB1      ARG  19  40.318  12.741  -2.788
  200    HG2  ARG  19           HG2      ARG  19  42.604  10.769  -3.142
  201    HG3  ARG  19           HG1      ARG  19  41.063  10.444  -3.930
  202    HD2  ARG  19           HD2      ARG  19  42.433  13.139  -4.224
  203    HD3  ARG  19           HD1      ARG  19  42.846  11.766  -5.275
  204    HE   ARG  19           HE       ARG  19  40.091  11.879  -5.447
  205   HH11  ARG  19          HH11      ARG  19  42.659  13.181  -7.035
  206   HH12  ARG  19          HH12      ARG  19  41.839  14.576  -7.653
  207   HH21  ARG  19          HH21      ARG  19  39.012  14.108  -5.700
  208   HH22  ARG  19          HH22      ARG  19  39.774  15.101  -6.897
  209    H    LYS  20           HN       LYS  20  42.874  12.802   0.694
  210    HA   LYS  20           HA       LYS  20  42.332  13.929   2.438
  211    HB2  LYS  20           HB2      LYS  20  40.890  15.453   0.880
  212    HB3  LYS  20           HB1      LYS  20  39.638  14.722   1.829
  213    HG2  LYS  20           HG2      LYS  20  40.371  15.801   3.848
  214    HG3  LYS  20           HG1      LYS  20  42.003  16.030   3.208
  215    HD2  LYS  20           HD2      LYS  20  41.327  17.808   1.782
  216    HD3  LYS  20           HD1      LYS  20  39.604  17.410   1.953
  217    HE2  LYS  20           HE2      LYS  20  39.673  18.068   4.333
  218    HE3  LYS  20           HE1      LYS  20  41.412  18.420   4.195
  219    HZ1  LYS  20           HZ1      LYS  20  39.113  19.909   3.155
  220    HZ2  LYS  20           HZ2      LYS  20  40.525  19.894   2.208
  221    HZ3  LYS  20           HZ3      LYS  20  40.574  20.479   3.803
  222    H    ALA  21           HN       ALA  21  41.330  11.319   1.191
  223    HA   ALA  21           HA       ALA  21  41.388   9.415   3.126
  224    HB1  ALA  21           HB1      ALA  21  41.300  10.950   5.108
  225    HB2  ALA  21           HB2      ALA  21  40.116   9.636   5.171
  226    HB3  ALA  21           HB3      ALA  21  39.603  11.265   4.695
  227    H    VAL  22           HN       VAL  22  40.101  10.357   0.774
  228    HA   VAL  22           HA       VAL  22  38.180   9.885  -0.276
  229    HB   VAL  22           HB       VAL  22  36.922   8.581   2.184
  230   HG11  VAL  22          HG11      VAL  22  35.572   7.410   0.557
  231   HG12  VAL  22          HG12      VAL  22  36.541   8.065  -0.777
  232   HG13  VAL  22          HG13      VAL  22  35.529   9.151   0.204
  233   HG21  VAL  22          HG21      VAL  22  37.682   6.349   1.121
  234   HG22  VAL  22          HG22      VAL  22  38.928   7.270   1.988
  235   HG23  VAL  22          HG23      VAL  22  38.869   7.315   0.211
  236    H    ILE  23           HN       ILE  23  39.659  11.966   1.942
  237    HA   ILE  23           HA       ILE  23  36.630  12.783   2.805
  238    HB   ILE  23           HB       ILE  23  39.193  13.967   3.807
  239   HG12  ILE  23          HG12      ILE  23  36.624  13.655   5.338
  240   HG13  ILE  23          HG11      ILE  23  37.527  12.191   4.927
  241   HG21  ILE  23          HG21      ILE  23  36.537  15.405   3.686
  242   HG22  ILE  23          HG22      ILE  23  38.051  15.959   2.945
  243   HG23  ILE  23          HG23      ILE  23  37.900  15.904   4.710
  244   HD11  ILE  23           HD1      ILE  23  38.538  14.575   6.540
  245   HD12  ILE  23           HD2      ILE  23  39.577  13.236   6.002
  246   HD13  ILE  23           HD3      ILE  23  38.238  12.925   7.128
  247    H    ALA  24           HN       ALA  24  38.531  12.679   0.309
  248    HA   ALA  24           HA       ALA  24  36.910  14.348  -1.002
  249    HB1  ALA  24           HB1      ALA  24  39.513  14.832  -2.021
  250    HB2  ALA  24           HB2      ALA  24  39.061  15.701  -0.543
  251    HB3  ALA  24           HB3      ALA  24  38.149  15.973  -2.046
  252    H    TRP  25           HN       TRP  25  38.769  12.295  -0.768
  253    HA   TRP  25           HA       TRP  25  38.836  10.123  -2.260
  254    HB2  TRP  25           HB2      TRP  25  36.383  10.209  -1.694
  255    HB3  TRP  25           HB1      TRP  25  36.122  11.104  -3.193
  256    HD1  TRP  25           HD1      TRP  25  38.213   7.894  -2.440
  257    HE1  TRP  25           HE1      TRP  25  37.591   6.086  -4.195
  258    HE3  TRP  25           HE3      TRP  25  34.653  10.490  -5.054
  259    HZ2  TRP  25           HZ2      TRP  25  35.789   5.827  -6.423
  260    HZ3  TRP  25           HZ3      TRP  25  33.495   9.439  -6.992
  261    HH2  TRP  25           HH2      TRP  25  34.060   7.111  -7.678
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1  64.858  16.777  -3.959
    2    H2   ALA   1           HT2      ALA   1  66.179  16.266  -3.022
    3    H3   ALA   1           HT3      ALA   1  64.853  17.028  -2.283
    4    HA   ALA   1           HA       ALA   1  64.705  14.741  -1.835
    5    HB1  ALA   1           HB1      ALA   1  62.794  15.570  -4.047
    6    HB2  ALA   1           HB2      ALA   1  62.608  15.927  -2.313
    7    HB3  ALA   1           HB3      ALA   1  62.534  14.244  -2.890
    8    H    TRP   2           HN       TRP   2  63.934  12.605  -2.982
    9    HA   TRP   2           HA       TRP   2  64.980  12.090  -5.627
   10    HB2  TRP   2           HB2      TRP   2  67.122  12.374  -4.305
   11    HB3  TRP   2           HB1      TRP   2  66.639  10.958  -3.341
   12    HD1  TRP   2           HD1      TRP   2  67.009  11.840  -7.109
   13    HE1  TRP   2           HE1      TRP   2  67.986   9.781  -8.361
   14    HE3  TRP   2           HE3      TRP   2  67.300   8.571  -3.180
   15    HZ2  TRP   2           HZ2      TRP   2  68.776   7.089  -7.712
   16    HZ3  TRP   2           HZ3      TRP   2  68.170   6.262  -3.520
   17    HH2  TRP   2           HH2      TRP   2  68.906   5.519  -5.781
   18    H    LYS   3           HN       LYS   3  64.347  10.728  -2.379
   19    HA   LYS   3           HA       LYS   3  63.509   8.145  -3.462
   20    HB2  LYS   3           HB2      LYS   3  63.148   9.416  -0.720
   21    HB3  LYS   3           HB1      LYS   3  62.754   7.727  -1.118
   22    HG2  LYS   3           HG2      LYS   3  65.184   7.500  -1.930
   23    HG3  LYS   3           HG1      LYS   3  65.488   9.068  -1.147
   24    HD2  LYS   3           HD2      LYS   3  64.438   6.541   0.206
   25    HD3  LYS   3           HD1      LYS   3  66.063   7.240   0.394
   26    HE2  LYS   3           HE2      LYS   3  63.405   8.340   1.364
   27    HE3  LYS   3           HE1      LYS   3  64.883   8.018   2.298
   28    HZ1  LYS   3           HZ1      LYS   3  64.560  10.119   0.214
   29    HZ2  LYS   3           HZ2      LYS   3  65.987   9.797   1.075
   30    HZ3  LYS   3           HZ3      LYS   3  64.615  10.377   1.889
   31    H    GLU   4           HN       GLU   4  62.060  11.243  -3.034
   32    HA   GLU   4           HA       GLU   4  59.883  11.986  -3.325
   33    HB2  GLU   4           HB2      GLU   4  59.475   9.353  -4.792
   34    HB3  GLU   4           HB1      GLU   4  58.531  10.849  -4.984
   35    HG2  GLU   4           HG2      GLU   4  60.570  12.027  -5.777
   36    HG3  GLU   4           HG1      GLU   4  61.501  10.519  -5.604
   37    H    LYS   5           HN       LYS   5  60.601  10.183  -1.015
   38    HA   LYS   5           HA       LYS   5  59.516   9.138   0.752
   39    HB2  LYS   5           HB2      LYS   5  57.300  10.871  -0.397
   40    HB3  LYS   5           HB1      LYS   5  57.074   9.899   1.075
   41    HG2  LYS   5           HG2      LYS   5  57.750  12.236   1.601
   42    HG3  LYS   5           HG1      LYS   5  58.949  11.051   2.168
   43    HD2  LYS   5           HD2      LYS   5  60.483  11.581   0.439
   44    HD3  LYS   5           HD1      LYS   5  59.233  12.358  -0.564
   45    HE2  LYS   5           HE2      LYS   5  60.854  13.938   0.646
   46    HE3  LYS   5           HE1      LYS   5  59.121  14.264   0.889
   47    HZ1  LYS   5           HZ1      LYS   5  60.833  12.674   2.738
   48    HZ2  LYS   5           HZ2      LYS   5  59.206  13.100   2.980
   49    HZ3  LYS   5           HZ3      LYS   5  60.408  14.300   2.969
   50    H    ILE   6           HN       ILE   6  59.484   7.909  -2.041
   51    HA   ILE   6           HA       ILE   6  58.480   6.105  -3.108
   52    HB   ILE   6           HB       ILE   6  57.431   5.201  -0.393
   53   HG12  ILE   6          HG12      ILE   6  60.315   5.137  -1.393
   54   HG13  ILE   6          HG11      ILE   6  59.706   6.043   0.011
   55   HG21  ILE   6          HG21      ILE   6  58.833   3.590  -2.565
   56   HG22  ILE   6          HG22      ILE   6  57.085   3.917  -2.623
   57   HG23  ILE   6          HG23      ILE   6  57.773   3.006  -1.259
   58   HD11  ILE   6           HD1      ILE   6  59.948   3.034  -0.331
   59   HD12  ILE   6           HD2      ILE   6  58.893   3.751   0.913
   60   HD13  ILE   6           HD3      ILE   6  60.644   4.064   0.941
   61    H    ARG   7           HN       ARG   7  57.016   8.524  -2.911
   62    HA   ARG   7           HA       ARG   7  54.921   9.306  -3.482
   63    HB2  ARG   7           HB2      ARG   7  53.854   6.455  -3.424
   64    HB3  ARG   7           HB1      ARG   7  53.177   7.860  -4.263
   65    HG2  ARG   7           HG2      ARG   7  55.967   6.838  -4.935
   66    HG3  ARG   7           HG1      ARG   7  54.521   6.125  -5.676
   67    HD2  ARG   7           HD2      ARG   7  55.304   9.073  -5.784
   68    HD3  ARG   7           HD1      ARG   7  55.454   7.902  -7.113
   69    HE   ARG   7           HE       ARG   7  52.734   7.985  -6.140
   70   HH11  ARG   7          HH11      ARG   7  54.917  10.263  -7.420
   71   HH12  ARG   7          HH12      ARG   7  53.852  10.810  -8.671
   72   HH21  ARG   7          HH21      ARG   7  51.417   8.433  -8.004
   73   HH22  ARG   7          HH22      ARG   7  51.870   9.773  -9.002
   74    H    LYS   8           HN       LYS   8  55.634   9.600  -0.942
   75    HA   LYS   8           HA       LYS   8  54.666   9.915   1.166
   76    HB2  LYS   8           HB2      LYS   8  52.056   9.291   0.010
   77    HB3  LYS   8           HB1      LYS   8  52.446  10.357   1.372
   78    HG2  LYS   8           HG2      LYS   8  53.126  10.849  -1.567
   79    HG3  LYS   8           HG1      LYS   8  51.960  11.756  -0.574
   80    HD2  LYS   8           HD2      LYS   8  53.957  12.279   0.987
   81    HD3  LYS   8           HD1      LYS   8  54.993  11.690  -0.336
   82    HE2  LYS   8           HE2      LYS   8  54.748  14.124  -0.509
   83    HE3  LYS   8           HE1      LYS   8  53.916  13.342  -1.874
   84    HZ1  LYS   8           HZ1      LYS   8  52.786  15.171  -0.293
   85    HZ2  LYS   8           HZ2      LYS   8  52.311  13.754   0.515
   86    HZ3  LYS   8           HZ3      LYS   8  51.910  13.978  -1.121
   87    H    LYS   9           HN       LYS   9  52.326   8.740   2.192
   88    HA   LYS   9           HA       LYS   9  52.845   5.894   2.217
   89    HB2  LYS   9           HB2      LYS   9  54.541   6.684   3.890
   90    HB3  LYS   9           HB1      LYS   9  53.227   7.524   4.749
   91    HG2  LYS   9           HG2      LYS   9  52.137   5.464   5.311
   92    HG3  LYS   9           HG1      LYS   9  53.144   4.535   4.174
   93    HD2  LYS   9           HD2      LYS   9  53.912   4.201   6.502
   94    HD3  LYS   9           HD1      LYS   9  55.153   5.035   5.538
   95    HE2  LYS   9           HE2      LYS   9  54.700   7.134   6.557
   96    HE3  LYS   9           HE1      LYS   9  53.125   6.591   7.187
   97    HZ1  LYS   9           HZ1      LYS   9  54.515   6.488   9.019
   98    HZ2  LYS   9           HZ2      LYS   9  55.843   5.906   8.131
   99    HZ3  LYS   9           HZ3      LYS   9  54.527   4.885   8.467
  100    H    LEU  10           HN       LEU  10  50.894   6.013   1.230
  101    HA   LEU  10           HA       LEU  10  48.509   6.311   1.332
  102    HB2  LEU  10           HB2      LEU  10  48.724   6.502   4.340
  103    HB3  LEU  10           HB1      LEU  10  47.436   5.784   3.359
  104    HG   LEU  10           HG       LEU  10  50.203   4.569   3.719
  105   HD11  LEU  10          HD11      LEU  10  49.082   2.938   5.147
  106   HD12  LEU  10          HD12      LEU  10  47.514   3.734   4.875
  107   HD13  LEU  10          HD13      LEU  10  48.789   4.572   5.789
  108   HD21  LEU  10          HD21      LEU  10  49.183   3.977   1.576
  109   HD22  LEU  10          HD22      LEU  10  47.641   3.601   2.384
  110   HD23  LEU  10          HD23      LEU  10  49.073   2.585   2.678
  111    H    LYS  11           HN       LYS  11  50.084   7.996   0.430
  112    HA   LYS  11           HA       LYS  11  50.296  10.286   0.986
  113    HB2  LYS  11           HB2      LYS  11  48.100   9.912  -0.854
  114    HB3  LYS  11           HB1      LYS  11  49.147  11.305  -0.876
  115    HG2  LYS  11           HG2      LYS  11  50.924  10.050  -1.796
  116    HG3  LYS  11           HG1      LYS  11  50.293   8.511  -1.195
  117    HD2  LYS  11           HD2      LYS  11  49.889   8.365  -3.496
  118    HD3  LYS  11           HD1      LYS  11  48.326   8.939  -2.890
  119    HE2  LYS  11           HE2      LYS  11  48.857  10.309  -4.781
  120    HE3  LYS  11           HE1      LYS  11  49.195  11.322  -3.356
  121    HZ1  LYS  11           HZ1      LYS  11  50.933  10.836  -5.363
  122    HZ2  LYS  11           HZ2      LYS  11  51.416   9.683  -4.211
  123    HZ3  LYS  11           HZ3      LYS  11  51.372  11.332  -3.802
  124    H    ASN  12           HN       ASN  12  50.041   9.964   3.081
  125    HA   ASN  12           HA       ASN  12  49.348  11.151   4.924
  126    HB2  ASN  12           HB2      ASN  12  47.040  12.466   3.550
  127    HB3  ASN  12           HB1      ASN  12  47.916  13.011   4.986
  128   HD21  ASN  12          HD21      ASN  12  50.598  12.391   3.875
  129   HD22  ASN  12          HD22      ASN  12  50.891  13.617   2.639
  130    H    GLU  13           HN       GLU  13  47.186   9.675   2.815
  131    HA   GLU  13           HA       GLU  13  46.689   7.533   4.489
  132    HB2  GLU  13           HB2      GLU  13  44.787   9.566   5.126
  133    HB3  GLU  13           HB1      GLU  13  43.927   8.337   4.182
  134    HG2  GLU  13           HG2      GLU  13  45.655   7.760   6.615
  135    HG3  GLU  13           HG1      GLU  13  43.879   7.887   6.629
  136    H    ILE  14           HN       ILE  14  47.359   8.791   1.549
  137    HA   ILE  14           HA       ILE  14  47.344   7.287  -0.300
  138    HB   ILE  14           HB       ILE  14  44.454   6.783   0.376
  139   HG12  ILE  14          HG12      ILE  14  46.366   5.342   1.380
  140   HG13  ILE  14          HG11      ILE  14  44.984   4.509   0.663
  141   HG21  ILE  14          HG21      ILE  14  45.887   6.414  -2.233
  142   HG22  ILE  14          HG22      ILE  14  44.271   7.092  -1.934
  143   HG23  ILE  14          HG23      ILE  14  44.531   5.347  -1.797
  144   HD11  ILE  14           HD1      ILE  14  47.412   3.712   0.039
  145   HD12  ILE  14           HD2      ILE  14  47.431   5.120  -1.036
  146   HD13  ILE  14           HD3      ILE  14  46.207   3.854  -1.252
  147    H    LYS  15           HN       LYS  15  46.433  10.026   1.000
  148    HA   LYS  15           HA       LYS  15  46.819  11.747  -0.871
  149    HB2  LYS  15           HB2      LYS  15  44.333  10.469  -1.816
  150    HB3  LYS  15           HB1      LYS  15  44.511  12.205  -2.069
  151    HG2  LYS  15           HG2      LYS  15  46.937  10.811  -2.992
  152    HG3  LYS  15           HG1      LYS  15  45.496  10.158  -3.794
  153    HD2  LYS  15           HD2      LYS  15  44.811  12.411  -4.488
  154    HD3  LYS  15           HD1      LYS  15  46.181  13.129  -3.614
  155    HE2  LYS  15           HE2      LYS  15  46.375  12.690  -6.218
  156    HE3  LYS  15           HE1      LYS  15  47.759  12.334  -5.163
  157    HZ1  LYS  15           HZ1      LYS  15  47.382  10.479  -6.599
  158    HZ2  LYS  15           HZ2      LYS  15  45.736  10.404  -6.185
  159    HZ3  LYS  15           HZ3      LYS  15  46.924  10.016  -5.033
  160    H    LYS  16           HN       LYS  16  46.954  13.490  -0.044
  161    HA   LYS  16           HA       LYS  16  46.242  15.256   1.361
  162    HB2  LYS  16           HB2      LYS  16  44.646  15.295  -0.555
  163    HB3  LYS  16           HB1      LYS  16  43.662  14.093   0.332
  164    HG2  LYS  16           HG2      LYS  16  42.777  16.457   0.556
  165    HG3  LYS  16           HG1      LYS  16  43.249  15.770   2.123
  166    HD2  LYS  16           HD2      LYS  16  45.182  17.115   2.287
  167    HD3  LYS  16           HD1      LYS  16  45.275  17.377   0.530
  168    HE2  LYS  16           HE2      LYS  16  43.214  18.574   2.436
  169    HE3  LYS  16           HE1      LYS  16  44.551  19.436   1.645
  170    HZ1  LYS  16           HZ1      LYS  16  43.383  18.359  -0.470
  171    HZ2  LYS  16           HZ2      LYS  16  42.936  19.876   0.151
  172    HZ3  LYS  16           HZ3      LYS  16  42.021  18.496   0.532
  173    H    LYS  17           HN       LYS  17  45.299  12.178   1.362
  174    HA   LYS  17           HA       LYS  17  45.450  10.955   3.606
  175    HB2  LYS  17           HB2      LYS  17  43.399  13.010   4.417
  176    HB3  LYS  17           HB1      LYS  17  43.361  11.424   5.173
  177    HG2  LYS  17           HG2      LYS  17  45.798  11.725   5.793
  178    HG3  LYS  17           HG1      LYS  17  45.665  13.405   5.242
  179    HD2  LYS  17           HD2      LYS  17  43.772  13.761   6.822
  180    HD3  LYS  17           HD1      LYS  17  43.982  12.095   7.411
  181    HE2  LYS  17           HE2      LYS  17  46.395  12.704   7.954
  182    HE3  LYS  17           HE1      LYS  17  45.968  14.395   7.602
  183    HZ1  LYS  17           HZ1      LYS  17  44.353  12.793   9.492
  184    HZ2  LYS  17           HZ2      LYS  17  44.512  14.481   9.381
  185    HZ3  LYS  17           HZ3      LYS  17  45.784  13.546  10.008
  186    H    TRP  18           HN       TRP  18  44.487  10.423   0.997
  187    HA   TRP  18           HA       TRP  18  43.458   8.819   0.008
  188    HB2  TRP  18           HB2      TRP  18  42.668   7.679   2.303
  189    HB3  TRP  18           HB1      TRP  18  41.162   8.151   1.558
  190    HD1  TRP  18           HD1      TRP  18  41.750   7.548  -1.455
  191    HE1  TRP  18           HE1      TRP  18  41.854   5.086  -2.269
  192    HE3  TRP  18           HE3      TRP  18  42.697   5.259   3.024
  193    HZ2  TRP  18           HZ2      TRP  18  42.288   2.490  -1.108
  194    HZ3  TRP  18           HZ3      TRP  18  42.949   2.785   3.148
  195    HH2  TRP  18           HH2      TRP  18  42.746   1.399   1.088
  196    H    ARG  19           HN       ARG  19  43.414  11.417  -0.303
  197    HA   ARG  19           HA       ARG  19  42.263  12.773  -1.727
  198    HB2  ARG  19           HB2      ARG  19  40.120  10.620  -1.922
  199    HB3  ARG  19           HB1      ARG  19  40.389  12.003  -2.997
  200    HG2  ARG  19           HG2      ARG  19  42.660  10.964  -3.570
  201    HG3  ARG  19           HG1      ARG  19  42.073   9.491  -2.763
  202    HD2  ARG  19           HD2      ARG  19  40.091   9.483  -4.292
  203    HD3  ARG  19           HD1      ARG  19  40.774  10.891  -5.140
  204    HE   ARG  19           HE       ARG  19  42.765   8.860  -5.095
  205   HH11  ARG  19          HH11      ARG  19  40.166   7.298  -5.599
  206   HH12  ARG  19          HH12      ARG  19  40.137   7.272  -7.330
  207   HH21  ARG  19          HH21      ARG  19  42.507   9.781  -7.672
  208   HH22  ARG  19          HH22      ARG  19  41.463   8.677  -8.504
  209    H    LYS  20           HN       LYS  20  42.675  12.992   0.386
  210    HA   LYS  20           HA       LYS  20  42.383  13.434   2.400
  211    HB2  LYS  20           HB2      LYS  20  40.972  15.337   1.522
  212    HB3  LYS  20           HB1      LYS  20  39.719  14.382   2.224
  213    HG2  LYS  20           HG2      LYS  20  40.362  14.796   4.436
  214    HG3  LYS  20           HG1      LYS  20  42.053  15.056   3.979
  215    HD2  LYS  20           HD2      LYS  20  41.361  17.210   2.877
  216    HD3  LYS  20           HD1      LYS  20  39.712  16.946   3.484
  217    HE2  LYS  20           HE2      LYS  20  42.174  17.038   5.276
  218    HE3  LYS  20           HE1      LYS  20  41.143  18.450   4.944
  219    HZ1  LYS  20           HZ1      LYS  20  40.427  17.393   6.961
  220    HZ2  LYS  20           HZ2      LYS  20  40.300  15.882   6.195
  221    HZ3  LYS  20           HZ3      LYS  20  39.241  17.142   5.775
  222    H    ALA  21           HN       ALA  21  41.208  11.081   1.262
  223    HA   ALA  21           HA       ALA  21  41.112   9.153   3.255
  224    HB1  ALA  21           HB1      ALA  21  40.733  10.612   5.175
  225    HB2  ALA  21           HB2      ALA  21  39.411   9.436   5.015
  226    HB3  ALA  21           HB3      ALA  21  39.183  11.108   4.438
  227    H    VAL  22           HN       VAL  22  40.222  10.077   0.769
  228    HA   VAL  22           HA       VAL  22  38.599   9.554  -0.671
  229    HB   VAL  22           HB       VAL  22  36.782   8.341   1.461
  230   HG11  VAL  22          HG11      VAL  22  35.948   7.056  -0.462
  231   HG12  VAL  22          HG12      VAL  22  37.207   7.769  -1.500
  232   HG13  VAL  22          HG13      VAL  22  35.929   8.800  -0.814
  233   HG21  VAL  22          HG21      VAL  22  39.218   7.027   0.189
  234   HG22  VAL  22          HG22      VAL  22  37.800   6.055   0.649
  235   HG23  VAL  22          HG23      VAL  22  38.685   6.969   1.886
  236    H    ILE  23           HN       ILE  23  39.634  11.663   1.695
  237    HA   ILE  23           HA       ILE  23  36.577  12.679   1.769
  238    HB   ILE  23           HB       ILE  23  38.724  13.308   3.749
  239   HG12  ILE  23          HG12      ILE  23  35.747  12.832   4.084
  240   HG13  ILE  23          HG11      ILE  23  36.925  11.508   4.029
  241   HG21  ILE  23          HG21      ILE  23  37.890  15.544   2.918
  242   HG22  ILE  23          HG22      ILE  23  37.397  15.211   4.585
  243   HG23  ILE  23          HG23      ILE  23  36.236  14.998   3.257
  244   HD11  ILE  23           HD1      ILE  23  36.717  11.905   6.344
  245   HD12  ILE  23           HD2      ILE  23  36.575  13.663   6.135
  246   HD13  ILE  23           HD3      ILE  23  38.155  12.868   5.940
  247    H    ALA  24           HN       ALA  24  39.636  13.357   0.692
  248    HA   ALA  24           HA       ALA  24  38.751  15.580  -0.673
  249    HB1  ALA  24           HB1      ALA  24  41.402  14.822  -0.457
  250    HB2  ALA  24           HB2      ALA  24  40.840  16.238  -1.318
  251    HB3  ALA  24           HB3      ALA  24  40.989  14.684  -2.156
  252    H    TRP  25           HN       TRP  25  39.045  12.827  -0.629
  253    HA   TRP  25           HA       TRP  25  37.921  11.031  -2.012
  254    HB2  TRP  25           HB2      TRP  25  35.950  12.205  -1.211
  255    HB3  TRP  25           HB1      TRP  25  36.080  13.369  -2.536
  256    HD1  TRP  25           HD1      TRP  25  36.478   9.543  -2.998
  257    HE1  TRP  25           HE1      TRP  25  34.606   8.687  -4.573
  258    HE3  TRP  25           HE3      TRP  25  33.764  13.865  -3.458
  259    HZ2  TRP  25           HZ2      TRP  25  32.256   9.749  -5.844
  260    HZ3  TRP  25           HZ3      TRP  25  31.706  13.915  -4.859
  261    HH2  TRP  25           HH2      TRP  25  30.951  11.863  -6.052
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1  66.492  15.708  -3.781
    2    H2   ALA   1           HT2      ALA   1  67.259  14.390  -3.031
    3    H3   ALA   1           HT3      ALA   1  66.356  15.492  -2.105
    4    HA   ALA   1           HA       ALA   1  64.373  14.695  -2.761
    5    HB1  ALA   1           HB1      ALA   1  64.711  15.005  -5.140
    6    HB2  ALA   1           HB2      ALA   1  64.115  13.352  -4.856
    7    HB3  ALA   1           HB3      ALA   1  65.840  13.632  -5.199
    8    H    TRP   2           HN       TRP   2  63.481  12.335  -3.072
    9    HA   TRP   2           HA       TRP   2  65.321  10.198  -2.317
   10    HB2  TRP   2           HB2      TRP   2  65.044  11.491  -0.155
   11    HB3  TRP   2           HB1      TRP   2  63.310  11.093  -0.214
   12    HD1  TRP   2           HD1      TRP   2  66.594   9.056  -0.664
   13    HE1  TRP   2           HE1      TRP   2  66.387   6.830   0.664
   14    HE3  TRP   2           HE3      TRP   2  61.886   9.691   1.248
   15    HZ2  TRP   2           HZ2      TRP   2  64.426   5.530   2.324
   16    HZ3  TRP   2           HZ3      TRP   2  60.868   7.945   2.702
   17    HH2  TRP   2           HH2      TRP   2  62.132   5.867   3.240
   18    H    LYS   3           HN       LYS   3  64.060   9.808  -4.408
   19    HA   LYS   3           HA       LYS   3  62.385   8.678  -5.533
   20    HB2  LYS   3           HB2      LYS   3  63.345   6.955  -3.814
   21    HB3  LYS   3           HB1      LYS   3  61.810   7.186  -2.948
   22    HG2  LYS   3           HG2      LYS   3  60.541   6.484  -4.924
   23    HG3  LYS   3           HG1      LYS   3  62.032   6.388  -5.890
   24    HD2  LYS   3           HD2      LYS   3  62.894   4.603  -4.445
   25    HD3  LYS   3           HD1      LYS   3  61.461   4.728  -3.398
   26    HE2  LYS   3           HE2      LYS   3  60.005   4.089  -5.288
   27    HE3  LYS   3           HE1      LYS   3  61.424   3.994  -6.358
   28    HZ1  LYS   3           HZ1      LYS   3  62.328   2.254  -4.958
   29    HZ2  LYS   3           HZ2      LYS   3  60.776   1.818  -5.496
   30    HZ3  LYS   3           HZ3      LYS   3  61.004   2.361  -3.902
   31    H    GLU   4           HN       GLU   4  61.670  11.153  -4.154
   32    HA   GLU   4           HA       GLU   4  59.782  12.350  -3.518
   33    HB2  GLU   4           HB2      GLU   4  58.430  10.293  -5.307
   34    HB3  GLU   4           HB1      GLU   4  57.770  11.880  -4.848
   35    HG2  GLU   4           HG2      GLU   4  59.609  13.026  -5.973
   36    HG3  GLU   4           HG1      GLU   4  60.412  11.475  -6.318
   37    H    LYS   5           HN       LYS   5  60.427  10.807  -1.442
   38    HA   LYS   5           HA       LYS   5  59.592   9.742   0.442
   39    HB2  LYS   5           HB2      LYS   5  57.044  11.041  -0.584
   40    HB3  LYS   5           HB1      LYS   5  57.243  10.351   1.040
   41    HG2  LYS   5           HG2      LYS   5  59.230  12.425   0.054
   42    HG3  LYS   5           HG1      LYS   5  57.638  12.963   0.625
   43    HD2  LYS   5           HD2      LYS   5  59.169  11.022   2.379
   44    HD3  LYS   5           HD1      LYS   5  59.739  12.702   2.313
   45    HE2  LYS   5           HE2      LYS   5  58.159  12.448   4.166
   46    HE3  LYS   5           HE1      LYS   5  57.432  13.479   2.914
   47    HZ1  LYS   5           HZ1      LYS   5  56.027  11.606   3.900
   48    HZ2  LYS   5           HZ2      LYS   5  56.973  10.554   2.959
   49    HZ3  LYS   5           HZ3      LYS   5  56.046  11.766   2.212
   50    H    ILE   6           HN       ILE   6  59.494   8.324  -2.239
   51    HA   ILE   6           HA       ILE   6  58.586   6.372  -3.119
   52    HB   ILE   6           HB       ILE   6  57.735   5.609  -0.292
   53   HG12  ILE   6          HG12      ILE   6  60.563   5.715  -1.438
   54   HG13  ILE   6          HG11      ILE   6  59.943   6.637  -0.050
   55   HG21  ILE   6          HG21      ILE   6  57.381   4.131  -2.394
   56   HG22  ILE   6          HG22      ILE   6  58.214   3.383  -1.013
   57   HG23  ILE   6          HG23      ILE   6  59.150   3.947  -2.418
   58   HD11  ILE   6           HD1      ILE   6  61.109   4.800   0.920
   59   HD12  ILE   6           HD2      ILE   6  60.440   3.646  -0.257
   60   HD13  ILE   6           HD3      ILE   6  59.394   4.335   1.009
   61    H    ARG   7           HN       ARG   7  56.948   8.680  -3.040
   62    HA   ARG   7           HA       ARG   7  54.773   9.278  -3.514
   63    HB2  ARG   7           HB2      ARG   7  53.997   6.342  -3.324
   64    HB3  ARG   7           HB1      ARG   7  53.146   7.646  -4.174
   65    HG2  ARG   7           HG2      ARG   7  54.964   7.881  -5.777
   66    HG3  ARG   7           HG1      ARG   7  55.968   6.721  -4.876
   67    HD2  ARG   7           HD2      ARG   7  54.489   4.897  -5.397
   68    HD3  ARG   7           HD1      ARG   7  53.245   6.001  -6.030
   69    HE   ARG   7           HE       ARG   7  55.512   4.992  -7.515
   70   HH11  ARG   7          HH11      ARG   7  56.266   6.198  -9.319
   71   HH12  ARG   7          HH12      ARG   7  55.316   7.537  -9.870
   72   HH21  ARG   7          HH21      ARG   7  53.095   7.398  -7.211
   73   HH22  ARG   7          HH22      ARG   7  53.520   8.216  -8.677
   74    H    LYS   8           HN       LYS   8  55.584   9.653  -0.952
   75    HA   LYS   8           HA       LYS   8  54.654   9.901   1.187
   76    HB2  LYS   8           HB2      LYS   8  52.044   9.254   0.038
   77    HB3  LYS   8           HB1      LYS   8  52.413  10.269   1.444
   78    HG2  LYS   8           HG2      LYS   8  53.110  10.908  -1.460
   79    HG3  LYS   8           HG1      LYS   8  51.864  11.708  -0.470
   80    HD2  LYS   8           HD2      LYS   8  53.789  12.256   1.184
   81    HD3  LYS   8           HD1      LYS   8  54.881  11.815  -0.149
   82    HE2  LYS   8           HE2      LYS   8  54.464  14.243  -0.156
   83    HE3  LYS   8           HE1      LYS   8  53.768  13.489  -1.610
   84    HZ1  LYS   8           HZ1      LYS   8  51.909  13.462   0.543
   85    HZ2  LYS   8           HZ2      LYS   8  51.751  14.143  -1.005
   86    HZ3  LYS   8           HZ3      LYS   8  52.451  15.043   0.254
   87    H    LYS   9           HN       LYS   9  52.299   8.654   2.183
   88    HA   LYS   9           HA       LYS   9  52.814   5.836   2.137
   89    HB2  LYS   9           HB2      LYS   9  53.050   5.869   4.768
   90    HB3  LYS   9           HB1      LYS   9  54.509   6.088   3.774
   91    HG2  LYS   9           HG2      LYS   9  54.312   8.534   3.967
   92    HG3  LYS   9           HG1      LYS   9  52.811   8.355   4.908
   93    HD2  LYS   9           HD2      LYS   9  54.094   7.045   6.621
   94    HD3  LYS   9           HD1      LYS   9  55.586   7.375   5.706
   95    HE2  LYS   9           HE2      LYS   9  53.724   9.498   6.861
   96    HE3  LYS   9           HE1      LYS   9  55.276   8.993   7.572
   97    HZ1  LYS   9           HZ1      LYS   9  56.194   9.550   5.242
   98    HZ2  LYS   9           HZ2      LYS   9  55.848  10.825   6.311
   99    HZ3  LYS   9           HZ3      LYS   9  54.770  10.451   5.053
  100    H    LEU  10           HN       LEU  10  50.859   6.037   1.210
  101    HA   LEU  10           HA       LEU  10  48.476   6.262   1.390
  102    HB2  LEU  10           HB2      LEU  10  48.733   6.531   4.387
  103    HB3  LEU  10           HB1      LEU  10  47.445   5.780   3.449
  104    HG   LEU  10           HG       LEU  10  49.870   4.233   2.977
  105   HD11  LEU  10          HD11      LEU  10  50.766   5.063   5.081
  106   HD12  LEU  10          HD12      LEU  10  50.211   3.389   5.319
  107   HD13  LEU  10          HD13      LEU  10  49.224   4.748   5.910
  108   HD21  LEU  10          HD21      LEU  10  47.555   3.372   2.813
  109   HD22  LEU  10          HD22      LEU  10  47.344   3.597   4.567
  110   HD23  LEU  10          HD23      LEU  10  48.519   2.407   3.958
  111    H    LYS  11           HN       LYS  11  50.086   7.943   0.459
  112    HA   LYS  11           HA       LYS  11  50.270  10.228   0.977
  113    HB2  LYS  11           HB2      LYS  11  48.091   9.786  -0.869
  114    HB3  LYS  11           HB1      LYS  11  49.088  11.230  -0.878
  115    HG2  LYS  11           HG2      LYS  11  50.923  10.036  -1.769
  116    HG3  LYS  11           HG1      LYS  11  50.307   8.468  -1.208
  117    HD2  LYS  11           HD2      LYS  11  48.532   8.553  -2.899
  118    HD3  LYS  11           HD1      LYS  11  49.094  10.161  -3.427
  119    HE2  LYS  11           HE2      LYS  11  50.856   7.678  -3.435
  120    HE3  LYS  11           HE1      LYS  11  49.924   8.227  -4.849
  121    HZ1  LYS  11           HZ1      LYS  11  51.883   9.307  -5.201
  122    HZ2  LYS  11           HZ2      LYS  11  52.253   9.456  -3.550
  123    HZ3  LYS  11           HZ3      LYS  11  51.103  10.484  -4.262
  124    H    ASN  12           HN       ASN  12  50.023   9.897   3.081
  125    HA   ASN  12           HA       ASN  12  49.368  11.137   4.918
  126    HB2  ASN  12           HB2      ASN  12  47.040  12.431   3.545
  127    HB3  ASN  12           HB1      ASN  12  47.941  13.006   4.953
  128   HD21  ASN  12          HD21      ASN  12  50.499  13.158   4.370
  129   HD22  ASN  12          HD22      ASN  12  50.812  14.015   2.857
  130    H    GLU  13           HN       GLU  13  47.159   9.667   2.838
  131    HA   GLU  13           HA       GLU  13  46.664   7.543   4.541
  132    HB2  GLU  13           HB2      GLU  13  44.772   9.601   5.149
  133    HB3  GLU  13           HB1      GLU  13  43.905   8.348   4.242
  134    HG2  GLU  13           HG2      GLU  13  45.664   7.811   6.664
  135    HG3  GLU  13           HG1      GLU  13  43.894   7.988   6.718
  136    H    ILE  14           HN       ILE  14  47.331   8.746   1.568
  137    HA   ILE  14           HA       ILE  14  47.302   7.230  -0.246
  138    HB   ILE  14           HB       ILE  14  44.413   6.654   0.415
  139   HG12  ILE  14          HG12      ILE  14  46.321   5.326   1.569
  140   HG13  ILE  14          HG11      ILE  14  45.009   4.409   0.836
  141   HG21  ILE  14          HG21      ILE  14  45.945   6.281  -2.133
  142   HG22  ILE  14          HG22      ILE  14  44.248   6.754  -1.901
  143   HG23  ILE  14          HG23      ILE  14  44.727   5.064  -1.689
  144   HD11  ILE  14           HD1      ILE  14  47.576   3.767   0.385
  145   HD12  ILE  14           HD2      ILE  14  47.441   5.023  -0.860
  146   HD13  ILE  14           HD3      ILE  14  46.362   3.613  -0.902
  147    H    LYS  15           HN       LYS  15  46.555   9.953   0.939
  148    HA   LYS  15           HA       LYS  15  46.838  11.658  -0.889
  149    HB2  LYS  15           HB2      LYS  15  44.345  10.418  -1.844
  150    HB3  LYS  15           HB1      LYS  15  44.646  12.121  -2.207
  151    HG2  LYS  15           HG2      LYS  15  46.460  11.705  -3.623
  152    HG3  LYS  15           HG1      LYS  15  46.831  10.141  -2.889
  153    HD2  LYS  15           HD2      LYS  15  44.602   9.302  -3.879
  154    HD3  LYS  15           HD1      LYS  15  44.570  10.822  -4.803
  155    HE2  LYS  15           HE2      LYS  15  46.602   8.572  -4.950
  156    HE3  LYS  15           HE1      LYS  15  45.611   9.259  -6.260
  157    HZ1  LYS  15           HZ1      LYS  15  47.633  10.847  -4.771
  158    HZ2  LYS  15           HZ2      LYS  15  46.863  11.238  -6.234
  159    HZ3  LYS  15           HZ3      LYS  15  48.008   9.984  -6.182
  160    H    LYS  16           HN       LYS  16  46.996  13.386  -0.063
  161    HA   LYS  16           HA       LYS  16  46.262  15.190   1.269
  162    HB2  LYS  16           HB2      LYS  16  44.674  15.104  -0.686
  163    HB3  LYS  16           HB1      LYS  16  43.652  14.026   0.306
  164    HG2  LYS  16           HG2      LYS  16  42.840  16.407   0.374
  165    HG3  LYS  16           HG1      LYS  16  43.399  15.893   1.979
  166    HD2  LYS  16           HD2      LYS  16  45.322  17.241   1.900
  167    HD3  LYS  16           HD1      LYS  16  45.394  17.222   0.124
  168    HE2  LYS  16           HE2      LYS  16  44.744  19.446   0.818
  169    HE3  LYS  16           HE1      LYS  16  43.308  18.674   0.109
  170    HZ1  LYS  16           HZ1      LYS  16  42.280  19.107   2.012
  171    HZ2  LYS  16           HZ2      LYS  16  43.713  19.646   2.750
  172    HZ3  LYS  16           HZ3      LYS  16  43.301  17.998   2.790
  173    H    LYS  17           HN       LYS  17  45.299  12.114   1.325
  174    HA   LYS  17           HA       LYS  17  45.447  10.934   3.588
  175    HB2  LYS  17           HB2      LYS  17  43.414  13.021   4.362
  176    HB3  LYS  17           HB1      LYS  17  43.350  11.449   5.140
  177    HG2  LYS  17           HG2      LYS  17  45.798  11.731   5.758
  178    HG3  LYS  17           HG1      LYS  17  45.673  13.408   5.197
  179    HD2  LYS  17           HD2      LYS  17  43.691  13.685   6.764
  180    HD3  LYS  17           HD1      LYS  17  44.102  12.090   7.438
  181    HE2  LYS  17           HE2      LYS  17  46.450  12.985   7.853
  182    HE3  LYS  17           HE1      LYS  17  45.831  14.597   7.421
  183    HZ1  LYS  17           HZ1      LYS  17  44.805  14.785   9.376
  184    HZ2  LYS  17           HZ2      LYS  17  45.743  13.467   9.895
  185    HZ3  LYS  17           HZ3      LYS  17  44.166  13.215   9.314
  186    H    TRP  18           HN       TRP  18  44.466  10.375   0.961
  187    HA   TRP  18           HA       TRP  18  43.415   8.743   0.035
  188    HB2  TRP  18           HB2      TRP  18  42.627   7.678   2.363
  189    HB3  TRP  18           HB1      TRP  18  41.119   8.146   1.611
  190    HD1  TRP  18           HD1      TRP  18  41.743   7.482  -1.394
  191    HE1  TRP  18           HE1      TRP  18  41.807   5.002  -2.158
  192    HE3  TRP  18           HE3      TRP  18  42.576   5.261   3.144
  193    HZ2  TRP  18           HZ2      TRP  18  42.170   2.420  -0.940
  194    HZ3  TRP  18           HZ3      TRP  18  42.777   2.785   3.317
  195    HH2  TRP  18           HH2      TRP  18  42.575   1.364   1.281
  196    H    ARG  19           HN       ARG  19  43.386  11.350  -0.363
  197    HA   ARG  19           HA       ARG  19  42.218  12.654  -1.827
  198    HB2  ARG  19           HB2      ARG  19  40.060  10.502  -1.913
  199    HB3  ARG  19           HB1      ARG  19  40.309  11.842  -3.038
  200    HG2  ARG  19           HG2      ARG  19  42.468  10.822  -3.751
  201    HG3  ARG  19           HG1      ARG  19  42.121   9.421  -2.719
  202    HD2  ARG  19           HD2      ARG  19  39.877   9.257  -4.025
  203    HD3  ARG  19           HD1      ARG  19  40.651  10.344  -5.205
  204    HE   ARG  19           HE       ARG  19  41.177   7.537  -4.953
  205   HH11  ARG  19          HH11      ARG  19  43.433   6.831  -5.095
  206   HH12  ARG  19          HH12      ARG  19  44.490   7.823  -6.043
  207   HH21  ARG  19          HH21      ARG  19  42.238  10.449  -6.284
  208   HH22  ARG  19          HH22      ARG  19  43.813   9.873  -6.716
  209    H    LYS  20           HN       LYS  20  42.688  12.882   0.285
  210    HA   LYS  20           HA       LYS  20  42.475  13.378   2.298
  211    HB2  LYS  20           HB2      LYS  20  41.090  15.311   1.428
  212    HB3  LYS  20           HB1      LYS  20  39.834  14.410   2.191
  213    HG2  LYS  20           HG2      LYS  20  40.578  14.830   4.370
  214    HG3  LYS  20           HG1      LYS  20  42.253  15.056   3.836
  215    HD2  LYS  20           HD2      LYS  20  41.602  17.207   2.772
  216    HD3  LYS  20           HD1      LYS  20  39.935  16.972   3.335
  217    HE2  LYS  20           HE2      LYS  20  41.064  18.430   4.918
  218    HE3  LYS  20           HE1      LYS  20  40.818  16.848   5.696
  219    HZ1  LYS  20           HZ1      LYS  20  43.113  16.274   4.967
  220    HZ2  LYS  20           HZ2      LYS  20  43.045  17.538   6.100
  221    HZ3  LYS  20           HZ3      LYS  20  43.320  17.879   4.459
  222    H    ALA  21           HN       ALA  21  41.195  11.058   1.248
  223    HA   ALA  21           HA       ALA  21  41.076   9.164   3.279
  224    HB1  ALA  21           HB1      ALA  21  39.231  11.202   4.449
  225    HB2  ALA  21           HB2      ALA  21  40.778  10.662   5.176
  226    HB3  ALA  21           HB3      ALA  21  39.409   9.539   5.057
  227    H    VAL  22           HN       VAL  22  40.189  10.058   0.794
  228    HA   VAL  22           HA       VAL  22  38.523   9.594  -0.619
  229    HB   VAL  22           HB       VAL  22  36.714   8.440   1.556
  230   HG11  VAL  22          HG11      VAL  22  35.787   8.916  -0.670
  231   HG12  VAL  22          HG12      VAL  22  35.820   7.163  -0.368
  232   HG13  VAL  22          HG13      VAL  22  37.044   7.907  -1.424
  233   HG21  VAL  22          HG21      VAL  22  38.613   7.032   1.917
  234   HG22  VAL  22          HG22      VAL  22  39.055   7.040   0.194
  235   HG23  VAL  22          HG23      VAL  22  37.631   6.127   0.748
  236    H    ILE  23           HN       ILE  23  39.654  11.689   1.690
  237    HA   ILE  23           HA       ILE  23  36.637  12.806   1.801
  238    HB   ILE  23           HB       ILE  23  38.839  13.400   3.739
  239   HG12  ILE  23          HG12      ILE  23  35.865  13.001   4.181
  240   HG13  ILE  23          HG11      ILE  23  36.979  11.629   4.040
  241   HG21  ILE  23          HG21      ILE  23  36.373  15.123   3.260
  242   HG22  ILE  23          HG22      ILE  23  38.036  15.635   2.912
  243   HG23  ILE  23          HG23      ILE  23  37.540  15.326   4.583
  244   HD11  ILE  23           HD1      ILE  23  36.860  13.769   6.191
  245   HD12  ILE  23           HD2      ILE  23  38.360  12.852   5.917
  246   HD13  ILE  23           HD3      ILE  23  36.869  12.002   6.373
  247    H    ALA  24           HN       ALA  24  39.702  13.358   0.667
  248    HA   ALA  24           HA       ALA  24  38.885  15.613  -0.697
  249    HB1  ALA  24           HB1      ALA  24  41.006  16.194  -1.309
  250    HB2  ALA  24           HB2      ALA  24  41.061  14.674  -2.221
  251    HB3  ALA  24           HB3      ALA  24  41.509  14.704  -0.535
  252    H    TRP  25           HN       TRP  25  39.071  12.851  -0.644
  253    HA   TRP  25           HA       TRP  25  37.902  11.088  -2.063
  254    HB2  TRP  25           HB2      TRP  25  35.980  12.274  -1.155
  255    HB3  TRP  25           HB1      TRP  25  36.099  13.489  -2.435
  256    HD1  TRP  25           HD1      TRP  25  36.272   9.633  -2.873
  257    HE1  TRP  25           HE1      TRP  25  34.382   8.893  -4.492
  258    HE3  TRP  25           HE3      TRP  25  33.943  14.149  -3.516
  259    HZ2  TRP  25           HZ2      TRP  25  32.168  10.119  -5.866
  260    HZ3  TRP  25           HZ3      TRP  25  31.942  14.338  -4.985
  261    HH2  TRP  25           HH2      TRP  25  31.054  12.330  -6.160
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1  63.208  17.648   0.006
    2    H2   ALA   1           HT2      ALA   1  61.859  17.885  -0.999
    3    H3   ALA   1           HT3      ALA   1  63.381  17.555  -1.677
    4    HA   ALA   1           HA       ALA   1  61.739  15.739  -0.034
    5    HB1  ALA   1           HB1      ALA   1  61.038  16.144  -2.423
    6    HB2  ALA   1           HB2      ALA   1  61.477  14.459  -2.051
    7    HB3  ALA   1           HB3      ALA   1  62.619  15.505  -2.929
    8    H    TRP   2           HN       TRP   2  62.896  13.472  -1.364
    9    HA   TRP   2           HA       TRP   2  65.784  13.539  -0.996
   10    HB2  TRP   2           HB2      TRP   2  64.998  13.569   1.383
   11    HB3  TRP   2           HB1      TRP   2  64.156  12.030   1.085
   12    HD1  TRP   2           HD1      TRP   2  65.526   9.927   1.483
   13    HE1  TRP   2           HE1      TRP   2  68.043   9.327   1.741
   14    HE3  TRP   2           HE3      TRP   2  67.556  14.512   0.451
   15    HZ2  TRP   2           HZ2      TRP   2  70.574  10.682   1.521
   16    HZ3  TRP   2           HZ3      TRP   2  70.024  14.836   0.481
   17    HH2  TRP   2           HH2      TRP   2  71.534  12.928   1.015
   18    H    LYS   3           HN       LYS   3  62.753  11.729  -1.278
   19    HA   LYS   3           HA       LYS   3  63.904  10.070  -3.375
   20    HB2  LYS   3           HB2      LYS   3  64.715   9.045  -1.121
   21    HB3  LYS   3           HB1      LYS   3  63.025   8.542  -0.898
   22    HG2  LYS   3           HG2      LYS   3  63.088   7.311  -3.038
   23    HG3  LYS   3           HG1      LYS   3  64.757   7.862  -3.321
   24    HD2  LYS   3           HD2      LYS   3  65.495   6.706  -1.259
   25    HD3  LYS   3           HD1      LYS   3  63.826   6.156  -0.970
   26    HE2  LYS   3           HE2      LYS   3  65.005   4.338  -2.046
   27    HE3  LYS   3           HE1      LYS   3  63.899   5.039  -3.250
   28    HZ1  LYS   3           HZ1      LYS   3  66.033   4.737  -4.251
   29    HZ2  LYS   3           HZ2      LYS   3  66.819   5.552  -2.985
   30    HZ3  LYS   3           HZ3      LYS   3  65.794   6.403  -4.041
   31    H    GLU   4           HN       GLU   4  61.763  11.861  -3.270
   32    HA   GLU   4           HA       GLU   4  59.504  12.014  -3.772
   33    HB2  GLU   4           HB2      GLU   4  59.742   9.115  -4.652
   34    HB3  GLU   4           HB1      GLU   4  58.616  10.352  -5.258
   35    HG2  GLU   4           HG2      GLU   4  61.656  10.405  -5.545
   36    HG3  GLU   4           HG1      GLU   4  60.492  10.033  -6.838
   37    H    LYS   5           HN       LYS   5  60.567  10.365  -1.229
   38    HA   LYS   5           HA       LYS   5  59.572   9.368   0.611
   39    HB2  LYS   5           HB2      LYS   5  57.077  10.758  -0.441
   40    HB3  LYS   5           HB1      LYS   5  57.369  10.212   1.230
   41    HG2  LYS   5           HG2      LYS   5  59.264  11.769   1.438
   42    HG3  LYS   5           HG1      LYS   5  59.047  12.285  -0.252
   43    HD2  LYS   5           HD2      LYS   5  56.814  13.159   0.265
   44    HD3  LYS   5           HD1      LYS   5  56.943  12.567   1.938
   45    HE2  LYS   5           HE2      LYS   5  57.493  14.934   1.938
   46    HE3  LYS   5           HE1      LYS   5  58.995  14.020   2.213
   47    HZ1  LYS   5           HZ1      LYS   5  58.408  14.454  -0.572
   48    HZ2  LYS   5           HZ2      LYS   5  59.845  14.729   0.292
   49    HZ3  LYS   5           HZ3      LYS   5  58.615  15.901   0.289
   50    H    ILE   6           HN       ILE   6  59.471   8.040  -2.125
   51    HA   ILE   6           HA       ILE   6  58.472   6.179  -3.097
   52    HB   ILE   6           HB       ILE   6  57.485   5.352  -0.333
   53   HG12  ILE   6          HG12      ILE   6  59.863   6.272  -0.152
   54   HG13  ILE   6          HG11      ILE   6  59.660   4.578   0.323
   55   HG21  ILE   6          HG21      ILE   6  58.551   3.880  -2.779
   56   HG22  ILE   6          HG22      ILE   6  56.922   3.803  -2.072
   57   HG23  ILE   6          HG23      ILE   6  58.303   3.097  -1.201
   58   HD11  ILE   6           HD1      ILE   6  61.689   5.098  -1.152
   59   HD12  ILE   6           HD2      ILE   6  60.543   5.377  -2.480
   60   HD13  ILE   6           HD3      ILE   6  60.640   3.777  -1.710
   61    H    ARG   7           HN       ARG   7  56.983   8.558  -3.014
   62    HA   ARG   7           HA       ARG   7  54.854   9.285  -3.534
   63    HB2  ARG   7           HB2      ARG   7  53.860   6.417  -3.362
   64    HB3  ARG   7           HB1      ARG   7  53.174   7.774  -4.278
   65    HG2  ARG   7           HG2      ARG   7  55.370   7.850  -5.593
   66    HG3  ARG   7           HG1      ARG   7  55.781   6.298  -4.826
   67    HD2  ARG   7           HD2      ARG   7  53.635   5.342  -5.703
   68    HD3  ARG   7           HD1      ARG   7  53.339   6.874  -6.559
   69    HE   ARG   7           HE       ARG   7  54.804   6.063  -8.209
   70   HH11  ARG   7          HH11      ARG   7  57.355   6.118  -7.833
   71   HH12  ARG   7          HH12      ARG   7  57.922   4.597  -7.229
   72   HH21  ARG   7          HH21      ARG   7  54.777   3.510  -6.254
   73   HH22  ARG   7          HH22      ARG   7  56.463   3.121  -6.335
   74    H    LYS   8           HN       LYS   8  55.627   9.623  -0.971
   75    HA   LYS   8           HA       LYS   8  54.674   9.924   1.150
   76    HB2  LYS   8           HB2      LYS   8  52.051   9.320   0.021
   77    HB3  LYS   8           HB1      LYS   8  52.457  10.391   1.375
   78    HG2  LYS   8           HG2      LYS   8  53.118  10.870  -1.574
   79    HG3  LYS   8           HG1      LYS   8  51.917  11.751  -0.606
   80    HD2  LYS   8           HD2      LYS   8  54.939  11.758  -0.170
   81    HD3  LYS   8           HD1      LYS   8  53.952  13.084  -0.803
   82    HE2  LYS   8           HE2      LYS   8  52.607  12.855   1.447
   83    HE3  LYS   8           HE1      LYS   8  54.059  12.003   2.023
   84    HZ1  LYS   8           HZ1      LYS   8  55.396  13.894   1.466
   85    HZ2  LYS   8           HZ2      LYS   8  54.105  14.416   2.441
   86    HZ3  LYS   8           HZ3      LYS   8  54.076  14.698   0.765
   87    H    LYS   9           HN       LYS   9  52.330   8.755   2.181
   88    HA   LYS   9           HA       LYS   9  52.856   5.911   2.196
   89    HB2  LYS   9           HB2      LYS   9  54.576   6.783   3.847
   90    HB3  LYS   9           HB1      LYS   9  53.220   7.484   4.764
   91    HG2  LYS   9           HG2      LYS   9  52.241   5.265   5.096
   92    HG3  LYS   9           HG1      LYS   9  53.499   4.526   4.076
   93    HD2  LYS   9           HD2      LYS   9  55.235   5.127   5.659
   94    HD3  LYS   9           HD1      LYS   9  54.090   6.093   6.622
   95    HE2  LYS   9           HE2      LYS   9  54.553   3.803   7.586
   96    HE3  LYS   9           HE1      LYS   9  52.834   4.103   7.238
   97    HZ1  LYS   9           HZ1      LYS   9  53.089   2.926   5.146
   98    HZ2  LYS   9           HZ2      LYS   9  53.554   1.929   6.440
   99    HZ3  LYS   9           HZ3      LYS   9  54.734   2.656   5.458
  100    H    LEU  10           HN       LEU  10  50.887   5.986   1.265
  101    HA   LEU  10           HA       LEU  10  48.504   6.279   1.410
  102    HB2  LEU  10           HB2      LEU  10  48.773   6.540   4.408
  103    HB3  LEU  10           HB1      LEU  10  47.472   5.792   3.468
  104    HG   LEU  10           HG       LEU  10  50.252   4.600   3.819
  105   HD11  LEU  10          HD11      LEU  10  49.017   4.536   5.920
  106   HD12  LEU  10          HD12      LEU  10  49.004   2.911   5.192
  107   HD13  LEU  10          HD13      LEU  10  47.560   3.946   5.084
  108   HD21  LEU  10          HD21      LEU  10  49.178   3.982   1.688
  109   HD22  LEU  10          HD22      LEU  10  47.687   3.543   2.557
  110   HD23  LEU  10          HD23      LEU  10  49.174   2.598   2.806
  111    H    LYS  11           HN       LYS  11  50.101   7.964   0.461
  112    HA   LYS  11           HA       LYS  11  50.290  10.255   0.991
  113    HB2  LYS  11           HB2      LYS  11  48.099   9.838  -0.841
  114    HB3  LYS  11           HB1      LYS  11  49.116  11.262  -0.859
  115    HG2  LYS  11           HG2      LYS  11  50.911  10.044  -1.794
  116    HG3  LYS  11           HG1      LYS  11  50.302   8.487  -1.205
  117    HD2  LYS  11           HD2      LYS  11  48.438   8.645  -2.853
  118    HD3  LYS  11           HD1      LYS  11  49.138  10.170  -3.457
  119    HE2  LYS  11           HE2      LYS  11  51.177   9.039  -4.127
  120    HE3  LYS  11           HE1      LYS  11  50.637   7.521  -3.372
  121    HZ1  LYS  11           HZ1      LYS  11  49.947   7.122  -5.474
  122    HZ2  LYS  11           HZ2      LYS  11  49.798   8.765  -5.878
  123    HZ3  LYS  11           HZ3      LYS  11  48.584   7.996  -4.972
  124    H    ASN  12           HN       ASN  12  50.060   9.978   3.087
  125    HA   ASN  12           HA       ASN  12  49.368  11.198   4.910
  126    HB2  ASN  12           HB2      ASN  12  47.029  12.447   3.545
  127    HB3  ASN  12           HB1      ASN  12  47.935  13.053   4.934
  128   HD21  ASN  12          HD21      ASN  12  47.507  13.486   1.616
  129   HD22  ASN  12          HD22      ASN  12  49.074  14.217   1.253
  130    H    GLU  13           HN       GLU  13  47.184   9.681   2.846
  131    HA   GLU  13           HA       GLU  13  46.720   7.566   4.572
  132    HB2  GLU  13           HB2      GLU  13  44.814   9.600   5.185
  133    HB3  GLU  13           HB1      GLU  13  43.950   8.358   4.259
  134    HG2  GLU  13           HG2      GLU  13  45.678   7.838   6.707
  135    HG3  GLU  13           HG1      GLU  13  43.899   7.917   6.696
  136    H    ILE  14           HN       ILE  14  47.357   8.764   1.586
  137    HA   ILE  14           HA       ILE  14  47.321   7.196  -0.220
  138    HB   ILE  14           HB       ILE  14  44.436   6.719   0.507
  139   HG12  ILE  14          HG12      ILE  14  46.363   5.303   1.530
  140   HG13  ILE  14          HG11      ILE  14  44.969   4.452   0.858
  141   HG21  ILE  14          HG21      ILE  14  44.259   6.968  -1.822
  142   HG22  ILE  14          HG22      ILE  14  44.465   5.225  -1.613
  143   HG23  ILE  14          HG23      ILE  14  45.851   6.231  -2.099
  144   HD11  ILE  14           HD1      ILE  14  47.419   5.002  -0.862
  145   HD12  ILE  14           HD2      ILE  14  46.166   3.764  -1.071
  146   HD13  ILE  14           HD3      ILE  14  47.359   3.605   0.226
  147    H    LYS  15           HN       LYS  15  46.448   9.967   1.020
  148    HA   LYS  15           HA       LYS  15  46.815  11.648  -0.875
  149    HB2  LYS  15           HB2      LYS  15  44.332  10.367  -1.803
  150    HB3  LYS  15           HB1      LYS  15  44.557  12.088  -2.134
  151    HG2  LYS  15           HG2      LYS  15  46.909  10.414  -2.893
  152    HG3  LYS  15           HG1      LYS  15  45.447  10.048  -3.818
  153    HD2  LYS  15           HD2      LYS  15  46.717  11.766  -4.992
  154    HD3  LYS  15           HD1      LYS  15  45.229  12.499  -4.352
  155    HE2  LYS  15           HE2      LYS  15  47.225  13.939  -3.955
  156    HE3  LYS  15           HE1      LYS  15  46.482  13.410  -2.430
  157    HZ1  LYS  15           HZ1      LYS  15  48.855  12.186  -3.748
  158    HZ2  LYS  15           HZ2      LYS  15  48.127  11.620  -2.323
  159    HZ3  LYS  15           HZ3      LYS  15  48.869  13.147  -2.350
  160    H    LYS  16           HN       LYS  16  46.969  13.374  -0.069
  161    HA   LYS  16           HA       LYS  16  46.278  15.174   1.291
  162    HB2  LYS  16           HB2      LYS  16  44.682  15.159  -0.640
  163    HB3  LYS  16           HB1      LYS  16  43.664  14.039   0.315
  164    HG2  LYS  16           HG2      LYS  16  42.852  16.420   0.457
  165    HG3  LYS  16           HG1      LYS  16  43.382  15.835   2.042
  166    HD2  LYS  16           HD2      LYS  16  45.338  17.152   2.033
  167    HD3  LYS  16           HD1      LYS  16  45.363  17.285   0.258
  168    HE2  LYS  16           HE2      LYS  16  44.718  19.437   1.118
  169    HE3  LYS  16           HE1      LYS  16  43.241  18.704   0.457
  170    HZ1  LYS  16           HZ1      LYS  16  42.362  19.070   2.454
  171    HZ2  LYS  16           HZ2      LYS  16  43.866  19.441   3.153
  172    HZ3  LYS  16           HZ3      LYS  16  43.349  17.826   3.048
  173    H    LYS  17           HN       LYS  17  45.291  12.115   1.347
  174    HA   LYS  17           HA       LYS  17  45.441  10.930   3.613
  175    HB2  LYS  17           HB2      LYS  17  43.402  13.012   4.383
  176    HB3  LYS  17           HB1      LYS  17  43.343  11.437   5.161
  177    HG2  LYS  17           HG2      LYS  17  45.788  11.722   5.784
  178    HG3  LYS  17           HG1      LYS  17  45.664  13.399   5.223
  179    HD2  LYS  17           HD2      LYS  17  43.757  13.756   6.799
  180    HD3  LYS  17           HD1      LYS  17  43.997  12.101   7.412
  181    HE2  LYS  17           HE2      LYS  17  45.141  13.760   8.856
  182    HE3  LYS  17           HE1      LYS  17  46.315  12.679   8.069
  183    HZ1  LYS  17           HZ1      LYS  17  45.554  15.240   6.806
  184    HZ2  LYS  17           HZ2      LYS  17  46.970  14.323   6.604
  185    HZ3  LYS  17           HZ3      LYS  17  46.725  15.208   8.033
  186    H    TRP  18           HN       TRP  18  44.480  10.382   1.006
  187    HA   TRP  18           HA       TRP  18  43.463   8.771   0.032
  188    HB2  TRP  18           HB2      TRP  18  42.673   7.627   2.313
  189    HB3  TRP  18           HB1      TRP  18  41.161   8.122   1.590
  190    HD1  TRP  18           HD1      TRP  18  41.716   7.528  -1.445
  191    HE1  TRP  18           HE1      TRP  18  41.762   5.067  -2.266
  192    HE3  TRP  18           HE3      TRP  18  42.649   5.202   3.021
  193    HZ2  TRP  18           HZ2      TRP  18  42.148   2.458  -1.117
  194    HZ3  TRP  18           HZ3      TRP  18  42.849   2.724   3.134
  195    HH2  TRP  18           HH2      TRP  18  42.599   1.350   1.070
  196    H    ARG  19           HN       ARG  19  43.423  11.369  -0.381
  197    HA   ARG  19           HA       ARG  19  42.228  12.672  -1.832
  198    HB2  ARG  19           HB2      ARG  19  40.211  10.390  -1.969
  199    HB3  ARG  19           HB1      ARG  19  40.353  11.755  -3.085
  200    HG2  ARG  19           HG2      ARG  19  42.682  10.909  -3.660
  201    HG3  ARG  19           HG1      ARG  19  42.280   9.433  -2.751
  202    HD2  ARG  19           HD2      ARG  19  40.310   9.072  -4.224
  203    HD3  ARG  19           HD1      ARG  19  40.745  10.530  -5.148
  204    HE   ARG  19           HE       ARG  19  43.036   8.897  -5.162
  205   HH11  ARG  19          HH11      ARG  19  42.604   6.530  -5.849
  206   HH12  ARG  19          HH12      ARG  19  41.649   6.411  -7.288
  207   HH21  ARG  19          HH21      ARG  19  40.561   9.703  -7.153
  208   HH22  ARG  19          HH22      ARG  19  40.492   8.209  -8.026
  209    H    LYS  20           HN       LYS  20  42.678  12.872   0.281
  210    HA   LYS  20           HA       LYS  20  42.455  13.358   2.294
  211    HB2  LYS  20           HB2      LYS  20  41.080  15.257   1.397
  212    HB3  LYS  20           HB1      LYS  20  39.808  14.374   2.159
  213    HG2  LYS  20           HG2      LYS  20  40.517  14.825   4.339
  214    HG3  LYS  20           HG1      LYS  20  42.204  15.019   3.842
  215    HD2  LYS  20           HD2      LYS  20  41.522  17.162   2.666
  216    HD3  LYS  20           HD1      LYS  20  39.907  16.970   3.382
  217    HE2  LYS  20           HE2      LYS  20  40.957  16.930   5.653
  218    HE3  LYS  20           HE1      LYS  20  42.540  17.234   4.896
  219    HZ1  LYS  20           HZ1      LYS  20  40.420  19.065   5.464
  220    HZ2  LYS  20           HZ2      LYS  20  40.867  19.127   3.827
  221    HZ3  LYS  20           HZ3      LYS  20  42.032  19.379   5.037
  222    H    ALA  21           HN       ALA  21  41.199  11.049   1.228
  223    HA   ALA  21           HA       ALA  21  41.097   9.120   3.231
  224    HB1  ALA  21           HB1      ALA  21  39.423   9.453   5.007
  225    HB2  ALA  21           HB2      ALA  21  39.231  11.124   4.430
  226    HB3  ALA  21           HB3      ALA  21  40.781  10.593   5.146
  227    H    VAL  22           HN       VAL  22  40.215  10.040   0.754
  228    HA   VAL  22           HA       VAL  22  38.558   9.595  -0.680
  229    HB   VAL  22           HB       VAL  22  36.750   8.376   1.456
  230   HG11  VAL  22          HG11      VAL  22  37.126   7.885  -1.528
  231   HG12  VAL  22          HG12      VAL  22  35.842   8.862  -0.777
  232   HG13  VAL  22          HG13      VAL  22  35.902   7.107  -0.495
  233   HG21  VAL  22          HG21      VAL  22  38.666   6.993   1.824
  234   HG22  VAL  22          HG22      VAL  22  39.135   7.038   0.108
  235   HG23  VAL  22          HG23      VAL  22  37.720   6.090   0.624
  236    H    ILE  23           HN       ILE  23  39.648  11.649   1.677
  237    HA   ILE  23           HA       ILE  23  36.616  12.709   1.850
  238    HB   ILE  23           HB       ILE  23  38.834  13.327   3.752
  239   HG12  ILE  23          HG12      ILE  23  35.871  12.912   4.243
  240   HG13  ILE  23          HG11      ILE  23  36.979  11.540   4.063
  241   HG21  ILE  23          HG21      ILE  23  38.036  15.566   2.991
  242   HG22  ILE  23          HG22      ILE  23  37.498  15.222   4.642
  243   HG23  ILE  23          HG23      ILE  23  36.365  15.042   3.285
  244   HD11  ILE  23           HD1      ILE  23  36.888  13.640   6.253
  245   HD12  ILE  23           HD2      ILE  23  38.398  12.757   5.932
  246   HD13  ILE  23           HD3      ILE  23  36.932  11.871   6.400
  247    H    ALA  24           HN       ALA  24  39.629  13.366   0.634
  248    HA   ALA  24           HA       ALA  24  38.616  15.592  -0.674
  249    HB1  ALA  24           HB1      ALA  24  41.335  14.625  -0.816
  250    HB2  ALA  24           HB2      ALA  24  40.811  16.301  -0.649
  251    HB3  ALA  24           HB3      ALA  24  40.735  15.495  -2.223
  252    H    TRP  25           HN       TRP  25  39.054  12.859  -0.628
  253    HA   TRP  25           HA       TRP  25  38.259  11.043  -2.237
  254    HB2  TRP  25           HB2      TRP  25  36.017  10.969  -1.841
  255    HB3  TRP  25           HB1      TRP  25  36.243  12.550  -1.071
  256    HD1  TRP  25           HD1      TRP  25  34.883  10.882  -4.200
  257    HE1  TRP  25           HE1      TRP  25  33.515  12.590  -5.601
  258    HE3  TRP  25           HE3      TRP  25  36.054  15.162  -1.640
  259    HZ2  TRP  25           HZ2      TRP  25  33.016  15.423  -5.589
  260    HZ3  TRP  25           HZ3      TRP  25  35.121  17.355  -2.353
  261    HH2  TRP  25           HH2      TRP  25  33.604  17.490  -4.324